USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 GLN : amide:sc= 1.08 K(o=0.16,f=-16!) USER MOD Set 1.2: A 48 GLN : amide:sc= -0.922! C(o=0.16!,f=-3.3!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.835 K(o=0.84,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0.72 (180deg=0.493) USER MOD Single : A 35 SER OG : rot -16:sc= 0.207 USER MOD Single : A 37 THR OG1 : rot -38:sc= 0.973 USER MOD Single : A 39 GLN : amide:sc= -1.24 K(o=-1.2,f=-7.6!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0663 K(o=-0.066,f=-1.3) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 86:sc= -1.21! USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= 0.164 (180deg=0.0529) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 68 SER OG : rot 2:sc= 0.163 USER MOD Single : A 80 THR OG1 : rot -82:sc= 0.903 USER MOD Single : A 82 GLN : amide:sc= -3.64! X(o=-3.6!,f=-3.9) USER MOD Single : A 85 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.531 -10.483 0.734 1.00 2.13 N ATOM 290 CA LEU A 18 -6.442 -9.645 1.248 1.00 32.00 C ATOM 291 C LEU A 18 -5.623 -10.364 2.330 1.00 1.54 C ATOM 292 O LEU A 18 -6.137 -10.724 3.393 1.00 22.51 O ATOM 293 CB LEU A 18 -7.013 -8.327 1.779 1.00 62.33 C ATOM 294 CG LEU A 18 -7.650 -7.431 0.704 1.00 0.12 C ATOM 295 CD1 LEU A 18 -8.227 -6.166 1.327 1.00 4.24 C ATOM 296 CD2 LEU A 18 -6.627 -7.083 -0.378 1.00 33.30 C ATOM 0 HA LEU A 18 -5.759 -9.435 0.425 1.00 32.00 H new ATOM 0 HB2 LEU A 18 -7.762 -8.550 2.539 1.00 62.33 H new ATOM 0 HB3 LEU A 18 -6.215 -7.771 2.271 1.00 62.33 H new ATOM 0 HG LEU A 18 -8.467 -7.982 0.239 1.00 0.12 H new ATOM 0 HD11 LEU A 18 -8.672 -5.547 0.548 1.00 4.24 H new ATOM 0 HD12 LEU A 18 -8.990 -6.435 2.057 1.00 4.24 H new ATOM 0 HD13 LEU A 18 -7.432 -5.609 1.822 1.00 4.24 H new ATOM 0 HD21 LEU A 18 -7.095 -6.448 -1.131 1.00 33.30 H new ATOM 0 HD22 LEU A 18 -5.787 -6.553 0.072 1.00 33.30 H new ATOM 0 HD23 LEU A 18 -6.268 -7.999 -0.848 1.00 33.30 H new ATOM 308 N SER A 19 -4.341 -10.560 2.045 1.00 61.51 N ATOM 309 CA SER A 19 -3.430 -11.280 2.945 1.00 22.12 C ATOM 310 C SER A 19 -2.429 -10.319 3.603 1.00 30.13 C ATOM 311 O SER A 19 -2.221 -9.206 3.125 1.00 74.23 O ATOM 312 CB SER A 19 -2.676 -12.358 2.159 1.00 34.41 C ATOM 313 OG SER A 19 -3.578 -13.237 1.491 1.00 14.23 O ATOM 0 H SER A 19 -3.899 -10.228 1.188 1.00 61.51 H new ATOM 0 HA SER A 19 -4.022 -11.746 3.733 1.00 22.12 H new ATOM 0 HB2 SER A 19 -2.018 -11.886 1.430 1.00 34.41 H new ATOM 0 HB3 SER A 19 -2.043 -12.930 2.837 1.00 34.41 H new ATOM 0 HG SER A 19 -3.070 -13.913 0.996 1.00 14.23 H new ATOM 319 N LEU A 20 -1.802 -10.756 4.696 1.00 64.51 N ATOM 320 CA LEU A 20 -0.831 -9.918 5.415 1.00 43.11 C ATOM 321 C LEU A 20 0.434 -9.708 4.558 1.00 42.34 C ATOM 322 O LEU A 20 1.089 -10.672 4.150 1.00 32.31 O ATOM 323 CB LEU A 20 -0.474 -10.564 6.772 1.00 23.11 C ATOM 324 CG LEU A 20 -0.016 -9.603 7.895 1.00 3.25 C ATOM 325 CD1 LEU A 20 1.315 -8.930 7.561 1.00 55.15 C ATOM 326 CD2 LEU A 20 -1.093 -8.557 8.174 1.00 34.32 C ATOM 0 H LEU A 20 -1.945 -11.680 5.104 1.00 64.51 H new ATOM 0 HA LEU A 20 -1.279 -8.943 5.605 1.00 43.11 H new ATOM 0 HB2 LEU A 20 -1.345 -11.114 7.128 1.00 23.11 H new ATOM 0 HB3 LEU A 20 0.317 -11.295 6.604 1.00 23.11 H new ATOM 0 HG LEU A 20 0.138 -10.199 8.795 1.00 3.25 H new ATOM 0 HD11 LEU A 20 1.600 -8.264 8.375 1.00 55.15 H new ATOM 0 HD12 LEU A 20 2.084 -9.691 7.428 1.00 55.15 H new ATOM 0 HD13 LEU A 20 1.211 -8.355 6.641 1.00 55.15 H new ATOM 0 HD21 LEU A 20 -0.755 -7.889 8.966 1.00 34.32 H new ATOM 0 HD22 LEU A 20 -1.283 -7.980 7.269 1.00 34.32 H new ATOM 0 HD23 LEU A 20 -2.011 -9.055 8.486 1.00 34.32 H new ATOM 338 N LEU A 21 0.763 -8.446 4.280 1.00 4.51 N ATOM 339 CA LEU A 21 1.922 -8.109 3.443 1.00 33.22 C ATOM 340 C LEU A 21 3.256 -8.378 4.163 1.00 2.04 C ATOM 341 O LEU A 21 3.510 -7.849 5.245 1.00 12.44 O ATOM 342 CB LEU A 21 1.841 -6.639 3.002 1.00 32.51 C ATOM 343 CG LEU A 21 3.009 -6.132 2.131 1.00 21.54 C ATOM 344 CD1 LEU A 21 3.155 -6.976 0.869 1.00 12.43 C ATOM 345 CD2 LEU A 21 2.809 -4.662 1.773 1.00 31.13 C ATOM 0 H LEU A 21 0.244 -7.637 4.621 1.00 4.51 H new ATOM 0 HA LEU A 21 1.893 -8.755 2.565 1.00 33.22 H new ATOM 0 HB2 LEU A 21 0.912 -6.496 2.449 1.00 32.51 H new ATOM 0 HB3 LEU A 21 1.781 -6.015 3.894 1.00 32.51 H new ATOM 0 HG LEU A 21 3.929 -6.226 2.708 1.00 21.54 H new ATOM 0 HD11 LEU A 21 3.985 -6.598 0.272 1.00 12.43 H new ATOM 0 HD12 LEU A 21 3.349 -8.013 1.145 1.00 12.43 H new ATOM 0 HD13 LEU A 21 2.235 -6.922 0.286 1.00 12.43 H new ATOM 0 HD21 LEU A 21 3.642 -4.321 1.158 1.00 31.13 H new ATOM 0 HD22 LEU A 21 1.878 -4.546 1.219 1.00 31.13 H new ATOM 0 HD23 LEU A 21 2.764 -4.068 2.686 1.00 31.13 H new ATOM 357 N GLU A 22 4.098 -9.202 3.539 1.00 20.51 N ATOM 358 CA GLU A 22 5.426 -9.542 4.072 1.00 70.02 C ATOM 359 C GLU A 22 6.285 -8.286 4.342 1.00 52.32 C ATOM 360 O GLU A 22 6.178 -7.288 3.629 1.00 33.31 O ATOM 361 CB GLU A 22 6.147 -10.464 3.078 1.00 41.52 C ATOM 362 CG GLU A 22 6.343 -9.845 1.693 1.00 62.41 C ATOM 363 CD GLU A 22 6.944 -10.817 0.689 1.00 12.42 C ATOM 364 OE1 GLU A 22 8.170 -11.055 0.741 1.00 14.10 O ATOM 365 OE2 GLU A 22 6.192 -11.353 -0.156 1.00 23.21 O ATOM 0 H GLU A 22 3.883 -9.654 2.650 1.00 20.51 H new ATOM 0 HA GLU A 22 5.286 -10.049 5.027 1.00 70.02 H new ATOM 0 HB2 GLU A 22 7.121 -10.733 3.487 1.00 41.52 H new ATOM 0 HB3 GLU A 22 5.578 -11.388 2.976 1.00 41.52 H new ATOM 0 HG2 GLU A 22 5.382 -9.493 1.319 1.00 62.41 H new ATOM 0 HG3 GLU A 22 6.991 -8.973 1.779 1.00 62.41 H new ATOM 372 N SER A 23 7.145 -8.356 5.362 1.00 4.44 N ATOM 373 CA SER A 23 7.993 -7.215 5.764 1.00 24.24 C ATOM 374 C SER A 23 8.813 -6.648 4.593 1.00 43.30 C ATOM 375 O SER A 23 8.876 -5.432 4.405 1.00 13.22 O ATOM 376 CB SER A 23 8.950 -7.632 6.890 1.00 44.42 C ATOM 377 OG SER A 23 9.847 -8.646 6.455 1.00 71.41 O ATOM 0 H SER A 23 7.277 -9.192 5.931 1.00 4.44 H new ATOM 0 HA SER A 23 7.318 -6.433 6.112 1.00 24.24 H new ATOM 0 HB2 SER A 23 9.515 -6.764 7.230 1.00 44.42 H new ATOM 0 HB3 SER A 23 8.376 -7.993 7.744 1.00 44.42 H new ATOM 0 HG SER A 23 10.446 -8.891 7.191 1.00 71.41 H new ATOM 383 N LYS A 24 9.428 -7.534 3.808 1.00 65.14 N ATOM 384 CA LYS A 24 10.251 -7.119 2.664 1.00 43.11 C ATOM 385 C LYS A 24 9.451 -6.239 1.685 1.00 65.55 C ATOM 386 O LYS A 24 9.967 -5.265 1.136 1.00 60.22 O ATOM 387 CB LYS A 24 10.799 -8.351 1.932 1.00 23.10 C ATOM 388 CG LYS A 24 11.819 -8.036 0.840 1.00 10.01 C ATOM 389 CD LYS A 24 13.101 -7.430 1.414 1.00 54.44 C ATOM 390 CE LYS A 24 14.152 -7.190 0.337 1.00 13.21 C ATOM 391 NZ LYS A 24 15.428 -6.675 0.901 1.00 20.11 N ATOM 0 H LYS A 24 9.374 -8.544 3.941 1.00 65.14 H new ATOM 0 HA LYS A 24 11.082 -6.527 3.048 1.00 43.11 H new ATOM 0 HB2 LYS A 24 11.260 -9.016 2.662 1.00 23.10 H new ATOM 0 HB3 LYS A 24 9.965 -8.895 1.487 1.00 23.10 H new ATOM 0 HG2 LYS A 24 12.061 -8.949 0.295 1.00 10.01 H new ATOM 0 HG3 LYS A 24 11.380 -7.343 0.122 1.00 10.01 H new ATOM 0 HD2 LYS A 24 12.867 -6.487 1.908 1.00 54.44 H new ATOM 0 HD3 LYS A 24 13.508 -8.096 2.175 1.00 54.44 H new ATOM 0 HE2 LYS A 24 14.342 -8.121 -0.196 1.00 13.21 H new ATOM 0 HE3 LYS A 24 13.766 -6.478 -0.393 1.00 13.21 H new ATOM 0 HZ1 LYS A 24 16.113 -6.527 0.132 1.00 20.11 H new ATOM 0 HZ2 LYS A 24 15.253 -5.773 1.388 1.00 20.11 H new ATOM 0 HZ3 LYS A 24 15.812 -7.365 1.578 1.00 20.11 H new ATOM 405 N GLY A 25 8.189 -6.597 1.470 1.00 35.42 N ATOM 406 CA GLY A 25 7.307 -5.779 0.648 1.00 24.23 C ATOM 407 C GLY A 25 6.837 -4.523 1.375 1.00 2.42 C ATOM 408 O GLY A 25 6.879 -3.423 0.828 1.00 14.15 O ATOM 0 H GLY A 25 7.758 -7.440 1.850 1.00 35.42 H new ATOM 0 HA2 GLY A 25 7.827 -5.494 -0.266 1.00 24.23 H new ATOM 0 HA3 GLY A 25 6.440 -6.369 0.350 1.00 24.23 H new ATOM 412 N LEU A 26 6.418 -4.691 2.628 1.00 34.44 N ATOM 413 CA LEU A 26 5.898 -3.592 3.448 1.00 54.54 C ATOM 414 C LEU A 26 6.876 -2.407 3.520 1.00 22.12 C ATOM 415 O LEU A 26 6.470 -1.244 3.411 1.00 5.02 O ATOM 416 CB LEU A 26 5.596 -4.105 4.863 1.00 4.11 C ATOM 417 CG LEU A 26 4.973 -3.080 5.823 1.00 42.31 C ATOM 418 CD1 LEU A 26 3.625 -2.593 5.301 1.00 42.15 C ATOM 419 CD2 LEU A 26 4.826 -3.677 7.219 1.00 22.53 C ATOM 0 H LEU A 26 6.428 -5.592 3.106 1.00 34.44 H new ATOM 0 HA LEU A 26 4.984 -3.231 2.976 1.00 54.54 H new ATOM 0 HB2 LEU A 26 4.922 -4.958 4.784 1.00 4.11 H new ATOM 0 HB3 LEU A 26 6.524 -4.471 5.303 1.00 4.11 H new ATOM 0 HG LEU A 26 5.641 -2.221 5.883 1.00 42.31 H new ATOM 0 HD11 LEU A 26 3.205 -1.868 5.999 1.00 42.15 H new ATOM 0 HD12 LEU A 26 3.760 -2.123 4.327 1.00 42.15 H new ATOM 0 HD13 LEU A 26 2.945 -3.439 5.204 1.00 42.15 H new ATOM 0 HD21 LEU A 26 4.383 -2.937 7.886 1.00 22.53 H new ATOM 0 HD22 LEU A 26 4.183 -4.556 7.173 1.00 22.53 H new ATOM 0 HD23 LEU A 26 5.807 -3.965 7.597 1.00 22.53 H new ATOM 431 N GLU A 27 8.165 -2.696 3.700 1.00 33.20 N ATOM 432 CA GLU A 27 9.184 -1.642 3.739 1.00 13.21 C ATOM 433 C GLU A 27 9.298 -0.923 2.384 1.00 24.21 C ATOM 434 O GLU A 27 9.594 0.272 2.325 1.00 44.41 O ATOM 435 CB GLU A 27 10.548 -2.210 4.151 1.00 65.43 C ATOM 436 CG GLU A 27 11.116 -3.248 3.193 1.00 25.02 C ATOM 437 CD GLU A 27 12.571 -3.570 3.486 1.00 62.21 C ATOM 438 OE1 GLU A 27 12.841 -4.435 4.343 1.00 74.11 O ATOM 439 OE2 GLU A 27 13.456 -2.929 2.878 1.00 15.41 O ATOM 0 H GLU A 27 8.528 -3.642 3.820 1.00 33.20 H new ATOM 0 HA GLU A 27 8.870 -0.914 4.487 1.00 13.21 H new ATOM 0 HB2 GLU A 27 11.258 -1.388 4.238 1.00 65.43 H new ATOM 0 HB3 GLU A 27 10.457 -2.659 5.140 1.00 65.43 H new ATOM 0 HG2 GLU A 27 10.524 -4.161 3.258 1.00 25.02 H new ATOM 0 HG3 GLU A 27 11.026 -2.882 2.170 1.00 25.02 H new ATOM 446 N ALA A 28 9.055 -1.652 1.295 1.00 75.51 N ATOM 447 CA ALA A 28 9.066 -1.062 -0.048 1.00 43.33 C ATOM 448 C ALA A 28 7.891 -0.087 -0.225 1.00 74.34 C ATOM 449 O ALA A 28 8.059 1.020 -0.748 1.00 20.20 O ATOM 450 CB ALA A 28 9.021 -2.155 -1.111 1.00 12.41 C ATOM 0 H ALA A 28 8.848 -2.651 1.314 1.00 75.51 H new ATOM 0 HA ALA A 28 9.993 -0.502 -0.168 1.00 43.33 H new ATOM 0 HB1 ALA A 28 9.030 -1.700 -2.101 1.00 12.41 H new ATOM 0 HB2 ALA A 28 9.890 -2.804 -1.002 1.00 12.41 H new ATOM 0 HB3 ALA A 28 8.111 -2.743 -0.990 1.00 12.41 H new ATOM 456 N LEU A 29 6.708 -0.509 0.232 1.00 32.52 N ATOM 457 CA LEU A 29 5.510 0.344 0.219 1.00 22.10 C ATOM 458 C LEU A 29 5.741 1.637 1.020 1.00 24.30 C ATOM 459 O LEU A 29 5.538 2.738 0.508 1.00 44.35 O ATOM 460 CB LEU A 29 4.296 -0.420 0.792 1.00 42.03 C ATOM 461 CG LEU A 29 3.552 -1.348 -0.192 1.00 3.24 C ATOM 462 CD1 LEU A 29 2.879 -0.543 -1.297 1.00 0.03 C ATOM 463 CD2 LEU A 29 4.492 -2.396 -0.788 1.00 34.44 C ATOM 0 H LEU A 29 6.552 -1.440 0.618 1.00 32.52 H new ATOM 0 HA LEU A 29 5.304 0.613 -0.817 1.00 22.10 H new ATOM 0 HB2 LEU A 29 4.635 -1.018 1.638 1.00 42.03 H new ATOM 0 HB3 LEU A 29 3.585 0.308 1.181 1.00 42.03 H new ATOM 0 HG LEU A 29 2.779 -1.871 0.371 1.00 3.24 H new ATOM 0 HD11 LEU A 29 2.362 -1.220 -1.977 1.00 0.03 H new ATOM 0 HD12 LEU A 29 2.160 0.149 -0.857 1.00 0.03 H new ATOM 0 HD13 LEU A 29 3.633 0.019 -1.848 1.00 0.03 H new ATOM 0 HD21 LEU A 29 3.937 -3.033 -1.476 1.00 34.44 H new ATOM 0 HD22 LEU A 29 5.299 -1.898 -1.325 1.00 34.44 H new ATOM 0 HD23 LEU A 29 4.912 -3.006 0.012 1.00 34.44 H new ATOM 475 N ASN A 30 6.180 1.497 2.272 1.00 73.43 N ATOM 476 CA ASN A 30 6.442 2.659 3.132 1.00 52.30 C ATOM 477 C ASN A 30 7.519 3.582 2.537 1.00 63.22 C ATOM 478 O ASN A 30 7.391 4.805 2.593 1.00 61.44 O ATOM 479 CB ASN A 30 6.836 2.219 4.547 1.00 51.15 C ATOM 480 CG ASN A 30 5.632 1.793 5.370 1.00 13.40 C ATOM 481 OD1 ASN A 30 4.980 2.616 5.999 1.00 12.13 O ATOM 482 ND2 ASN A 30 5.327 0.510 5.381 1.00 24.53 N ATOM 0 H ASN A 30 6.362 0.596 2.714 1.00 73.43 H new ATOM 0 HA ASN A 30 5.514 3.228 3.191 1.00 52.30 H new ATOM 0 HB2 ASN A 30 7.543 1.392 4.485 1.00 51.15 H new ATOM 0 HB3 ASN A 30 7.348 3.039 5.052 1.00 51.15 H new ATOM 0 HD21 ASN A 30 4.529 0.180 5.924 1.00 24.53 H new ATOM 0 HD22 ASN A 30 5.889 -0.152 4.847 1.00 24.53 H new ATOM 489 N LYS A 31 8.576 3.006 1.967 1.00 13.45 N ATOM 490 CA LYS A 31 9.605 3.804 1.283 1.00 4.14 C ATOM 491 C LYS A 31 9.009 4.611 0.113 1.00 15.30 C ATOM 492 O LYS A 31 9.390 5.759 -0.124 1.00 11.43 O ATOM 493 CB LYS A 31 10.762 2.914 0.792 1.00 62.42 C ATOM 494 CG LYS A 31 11.826 2.647 1.858 1.00 11.15 C ATOM 495 CD LYS A 31 13.038 1.907 1.291 1.00 61.15 C ATOM 496 CE LYS A 31 12.812 0.402 1.195 1.00 53.03 C ATOM 497 NZ LYS A 31 12.833 -0.248 2.533 1.00 14.35 N ATOM 0 H LYS A 31 8.746 2.000 1.962 1.00 13.45 H new ATOM 0 HA LYS A 31 10.002 4.512 2.010 1.00 4.14 H new ATOM 0 HB2 LYS A 31 10.356 1.962 0.449 1.00 62.42 H new ATOM 0 HB3 LYS A 31 11.233 3.388 -0.069 1.00 62.42 H new ATOM 0 HG2 LYS A 31 12.150 3.594 2.291 1.00 11.15 H new ATOM 0 HG3 LYS A 31 11.389 2.060 2.666 1.00 11.15 H new ATOM 0 HD2 LYS A 31 13.269 2.300 0.301 1.00 61.15 H new ATOM 0 HD3 LYS A 31 13.906 2.101 1.922 1.00 61.15 H new ATOM 0 HE2 LYS A 31 11.854 0.209 0.712 1.00 53.03 H new ATOM 0 HE3 LYS A 31 13.582 -0.041 0.564 1.00 53.03 H new ATOM 0 HZ1 LYS A 31 12.898 -1.279 2.417 1.00 14.35 H new ATOM 0 HZ2 LYS A 31 13.655 0.092 3.071 1.00 14.35 H new ATOM 0 HZ3 LYS A 31 11.961 -0.011 3.048 1.00 14.35 H new ATOM 511 N ALA A 32 8.065 4.007 -0.608 1.00 13.43 N ATOM 512 CA ALA A 32 7.371 4.701 -1.701 1.00 64.13 C ATOM 513 C ALA A 32 6.478 5.833 -1.161 1.00 3.44 C ATOM 514 O ALA A 32 6.385 6.909 -1.758 1.00 43.52 O ATOM 515 CB ALA A 32 6.549 3.708 -2.518 1.00 45.50 C ATOM 0 H ALA A 32 7.762 3.044 -0.459 1.00 13.43 H new ATOM 0 HA ALA A 32 8.121 5.151 -2.351 1.00 64.13 H new ATOM 0 HB1 ALA A 32 6.039 4.235 -3.325 1.00 45.50 H new ATOM 0 HB2 ALA A 32 7.209 2.949 -2.939 1.00 45.50 H new ATOM 0 HB3 ALA A 32 5.811 3.230 -1.874 1.00 45.50 H new ATOM 521 N ILE A 33 5.832 5.572 -0.024 1.00 41.14 N ATOM 522 CA ILE A 33 5.020 6.578 0.672 1.00 52.42 C ATOM 523 C ILE A 33 5.869 7.795 1.075 1.00 40.33 C ATOM 524 O ILE A 33 5.506 8.941 0.801 1.00 45.34 O ATOM 525 CB ILE A 33 4.344 5.971 1.931 1.00 41.02 C ATOM 526 CG1 ILE A 33 3.348 4.869 1.526 1.00 63.51 C ATOM 527 CG2 ILE A 33 3.649 7.048 2.760 1.00 13.53 C ATOM 528 CD1 ILE A 33 2.681 4.178 2.699 1.00 33.43 C ATOM 0 H ILE A 33 5.855 4.664 0.440 1.00 41.14 H new ATOM 0 HA ILE A 33 4.245 6.907 -0.021 1.00 52.42 H new ATOM 0 HB ILE A 33 5.123 5.526 2.551 1.00 41.02 H new ATOM 0 HG12 ILE A 33 2.578 5.305 0.889 1.00 63.51 H new ATOM 0 HG13 ILE A 33 3.871 4.123 0.928 1.00 63.51 H new ATOM 0 HG21 ILE A 33 3.185 6.591 3.634 1.00 13.53 H new ATOM 0 HG22 ILE A 33 4.381 7.788 3.082 1.00 13.53 H new ATOM 0 HG23 ILE A 33 2.883 7.535 2.156 1.00 13.53 H new ATOM 0 HD11 ILE A 33 1.995 3.416 2.330 1.00 33.43 H new ATOM 0 HD12 ILE A 33 3.440 3.710 3.325 1.00 33.43 H new ATOM 0 HD13 ILE A 33 2.128 4.911 3.286 1.00 33.43 H new ATOM 540 N VAL A 34 7.014 7.537 1.709 1.00 60.14 N ATOM 541 CA VAL A 34 7.945 8.604 2.114 1.00 32.24 C ATOM 542 C VAL A 34 8.480 9.364 0.888 1.00 71.33 C ATOM 543 O VAL A 34 8.789 10.556 0.958 1.00 2.22 O ATOM 544 CB VAL A 34 9.137 8.028 2.926 1.00 65.04 C ATOM 545 CG1 VAL A 34 10.106 9.136 3.351 1.00 52.44 C ATOM 546 CG2 VAL A 34 8.633 7.257 4.144 1.00 35.21 C ATOM 0 H VAL A 34 7.324 6.597 1.956 1.00 60.14 H new ATOM 0 HA VAL A 34 7.389 9.296 2.746 1.00 32.24 H new ATOM 0 HB VAL A 34 9.681 7.339 2.280 1.00 65.04 H new ATOM 0 HG11 VAL A 34 10.930 8.701 3.918 1.00 52.44 H new ATOM 0 HG12 VAL A 34 10.499 9.636 2.465 1.00 52.44 H new ATOM 0 HG13 VAL A 34 9.580 9.860 3.973 1.00 52.44 H new ATOM 0 HG21 VAL A 34 9.482 6.861 4.701 1.00 35.21 H new ATOM 0 HG22 VAL A 34 8.058 7.925 4.785 1.00 35.21 H new ATOM 0 HG23 VAL A 34 7.998 6.434 3.816 1.00 35.21 H new ATOM 556 N SER A 35 8.577 8.663 -0.239 1.00 31.01 N ATOM 557 CA SER A 35 9.015 9.270 -1.506 1.00 3.04 C ATOM 558 C SER A 35 7.933 10.183 -2.106 1.00 32.34 C ATOM 559 O SER A 35 8.217 10.993 -2.991 1.00 13.14 O ATOM 560 CB SER A 35 9.386 8.180 -2.520 1.00 12.20 C ATOM 561 OG SER A 35 9.790 8.739 -3.764 1.00 4.04 O ATOM 0 H SER A 35 8.358 7.669 -0.307 1.00 31.01 H new ATOM 0 HA SER A 35 9.891 9.880 -1.287 1.00 3.04 H new ATOM 0 HB2 SER A 35 10.192 7.566 -2.117 1.00 12.20 H new ATOM 0 HB3 SER A 35 8.532 7.522 -2.676 1.00 12.20 H new ATOM 0 HG SER A 35 9.514 9.679 -3.805 1.00 4.04 H new ATOM 567 N GLY A 36 6.693 10.041 -1.634 1.00 45.50 N ATOM 568 CA GLY A 36 5.591 10.854 -2.146 1.00 42.53 C ATOM 569 C GLY A 36 5.273 10.576 -3.614 1.00 43.42 C ATOM 570 O GLY A 36 4.878 11.477 -4.357 1.00 14.02 O ATOM 0 H GLY A 36 6.429 9.378 -0.906 1.00 45.50 H new ATOM 0 HA2 GLY A 36 4.700 10.667 -1.546 1.00 42.53 H new ATOM 0 HA3 GLY A 36 5.840 11.909 -2.028 1.00 42.53 H new ATOM 574 N THR A 37 5.451 9.325 -4.033 1.00 73.44 N ATOM 575 CA THR A 37 5.190 8.916 -5.423 1.00 73.31 C ATOM 576 C THR A 37 3.969 7.991 -5.513 1.00 14.21 C ATOM 577 O THR A 37 3.746 7.334 -6.527 1.00 2.20 O ATOM 578 CB THR A 37 6.419 8.192 -6.034 1.00 64.10 C ATOM 579 OG1 THR A 37 6.184 7.889 -7.421 1.00 3.30 O ATOM 580 CG2 THR A 37 6.746 6.905 -5.270 1.00 2.53 C ATOM 0 H THR A 37 5.777 8.569 -3.431 1.00 73.44 H new ATOM 0 HA THR A 37 4.990 9.826 -5.988 1.00 73.31 H new ATOM 0 HB THR A 37 7.273 8.864 -5.952 1.00 64.10 H new ATOM 0 HG1 THR A 37 5.247 7.629 -7.545 1.00 3.30 H new ATOM 0 HG21 THR A 37 7.612 6.423 -5.724 1.00 2.53 H new ATOM 0 HG22 THR A 37 6.968 7.146 -4.230 1.00 2.53 H new ATOM 0 HG23 THR A 37 5.891 6.230 -5.312 1.00 2.53 H new ATOM 588 N VAL A 38 3.172 7.957 -4.450 1.00 10.50 N ATOM 589 CA VAL A 38 2.030 7.039 -4.359 1.00 43.42 C ATOM 590 C VAL A 38 0.690 7.787 -4.326 1.00 70.22 C ATOM 591 O VAL A 38 0.531 8.757 -3.590 1.00 31.31 O ATOM 592 CB VAL A 38 2.134 6.163 -3.089 1.00 24.00 C ATOM 593 CG1 VAL A 38 1.002 5.135 -3.035 1.00 13.43 C ATOM 594 CG2 VAL A 38 3.497 5.480 -3.019 1.00 2.01 C ATOM 0 H VAL A 38 3.293 8.556 -3.633 1.00 10.50 H new ATOM 0 HA VAL A 38 2.062 6.415 -5.252 1.00 43.42 H new ATOM 0 HB VAL A 38 2.033 6.813 -2.220 1.00 24.00 H new ATOM 0 HG11 VAL A 38 1.100 4.533 -2.132 1.00 13.43 H new ATOM 0 HG12 VAL A 38 0.042 5.651 -3.025 1.00 13.43 H new ATOM 0 HG13 VAL A 38 1.056 4.488 -3.910 1.00 13.43 H new ATOM 0 HG21 VAL A 38 3.551 4.868 -2.119 1.00 2.01 H new ATOM 0 HG22 VAL A 38 3.633 4.848 -3.896 1.00 2.01 H new ATOM 0 HG23 VAL A 38 4.282 6.236 -2.992 1.00 2.01 H new ATOM 604 N GLN A 39 -0.272 7.331 -5.127 1.00 50.31 N ATOM 605 CA GLN A 39 -1.640 7.861 -5.074 1.00 20.41 C ATOM 606 C GLN A 39 -2.626 6.782 -4.603 1.00 62.43 C ATOM 607 O GLN A 39 -2.724 5.712 -5.205 1.00 30.43 O ATOM 608 CB GLN A 39 -2.096 8.406 -6.442 1.00 14.52 C ATOM 609 CG GLN A 39 -1.327 9.640 -6.925 1.00 21.20 C ATOM 610 CD GLN A 39 -0.023 9.313 -7.637 1.00 23.43 C ATOM 611 OE1 GLN A 39 0.613 8.301 -7.376 1.00 74.42 O ATOM 612 NE2 GLN A 39 0.385 10.174 -8.544 1.00 61.30 N ATOM 0 H GLN A 39 -0.133 6.596 -5.821 1.00 50.31 H new ATOM 0 HA GLN A 39 -1.633 8.684 -4.359 1.00 20.41 H new ATOM 0 HB2 GLN A 39 -1.993 7.616 -7.186 1.00 14.52 H new ATOM 0 HB3 GLN A 39 -3.156 8.654 -6.385 1.00 14.52 H new ATOM 0 HG2 GLN A 39 -1.964 10.212 -7.599 1.00 21.20 H new ATOM 0 HG3 GLN A 39 -1.112 10.280 -6.069 1.00 21.20 H new ATOM 0 HE21 GLN A 39 -0.167 11.009 -8.739 1.00 61.30 H new ATOM 0 HE22 GLN A 39 1.254 10.007 -9.052 1.00 61.30 H new ATOM 621 N ARG A 40 -3.343 7.066 -3.518 1.00 14.24 N ATOM 622 CA ARG A 40 -4.405 6.172 -3.039 1.00 10.45 C ATOM 623 C ARG A 40 -5.563 6.118 -4.047 1.00 22.32 C ATOM 624 O ARG A 40 -5.770 7.060 -4.812 1.00 21.43 O ATOM 625 CB ARG A 40 -4.927 6.632 -1.667 1.00 0.32 C ATOM 626 CG ARG A 40 -5.334 8.105 -1.620 1.00 52.42 C ATOM 627 CD ARG A 40 -6.041 8.465 -0.316 1.00 73.33 C ATOM 628 NE ARG A 40 -5.300 8.011 0.861 1.00 52.43 N ATOM 629 CZ ARG A 40 -5.866 7.571 1.953 1.00 32.02 C ATOM 630 NH1 ARG A 40 -7.154 7.592 2.081 1.00 52.22 N ATOM 631 NH2 ARG A 40 -5.137 7.137 2.928 1.00 4.12 N ATOM 0 H ARG A 40 -3.212 7.905 -2.952 1.00 14.24 H new ATOM 0 HA ARG A 40 -3.981 5.173 -2.935 1.00 10.45 H new ATOM 0 HB2 ARG A 40 -5.785 6.019 -1.392 1.00 0.32 H new ATOM 0 HB3 ARG A 40 -4.156 6.454 -0.918 1.00 0.32 H new ATOM 0 HG2 ARG A 40 -4.448 8.729 -1.735 1.00 52.42 H new ATOM 0 HG3 ARG A 40 -5.991 8.326 -2.461 1.00 52.42 H new ATOM 0 HD2 ARG A 40 -6.175 9.546 -0.264 1.00 73.33 H new ATOM 0 HD3 ARG A 40 -7.036 8.020 -0.310 1.00 73.33 H new ATOM 0 HE ARG A 40 -4.281 8.040 0.827 1.00 52.43 H new ATOM 0 HH11 ARG A 40 -7.736 7.954 1.326 1.00 52.22 H new ATOM 0 HH12 ARG A 40 -7.587 7.246 2.937 1.00 52.22 H new ATOM 0 HH21 ARG A 40 -4.120 7.138 2.845 1.00 4.12 H new ATOM 0 HH22 ARG A 40 -5.578 6.793 3.781 1.00 4.12 H new ATOM 645 N ALA A 41 -6.324 5.022 -4.030 1.00 52.12 N ATOM 646 CA ALA A 41 -7.444 4.835 -4.969 1.00 44.42 C ATOM 647 C ALA A 41 -8.464 5.986 -4.894 1.00 31.00 C ATOM 648 O ALA A 41 -9.159 6.277 -5.868 1.00 51.33 O ATOM 649 CB ALA A 41 -8.128 3.497 -4.714 1.00 34.24 C ATOM 0 H ALA A 41 -6.189 4.248 -3.379 1.00 52.12 H new ATOM 0 HA ALA A 41 -7.029 4.839 -5.977 1.00 44.42 H new ATOM 0 HB1 ALA A 41 -8.954 3.371 -5.414 1.00 34.24 H new ATOM 0 HB2 ALA A 41 -7.409 2.689 -4.851 1.00 34.24 H new ATOM 0 HB3 ALA A 41 -8.511 3.473 -3.694 1.00 34.24 H new ATOM 655 N ASP A 42 -8.546 6.633 -3.733 1.00 31.21 N ATOM 656 CA ASP A 42 -9.428 7.791 -3.540 1.00 35.43 C ATOM 657 C ASP A 42 -9.017 8.982 -4.438 1.00 53.21 C ATOM 658 O ASP A 42 -9.821 9.879 -4.706 1.00 33.30 O ATOM 659 CB ASP A 42 -9.409 8.199 -2.064 1.00 50.22 C ATOM 660 CG ASP A 42 -10.343 9.356 -1.758 1.00 53.11 C ATOM 661 OD1 ASP A 42 -11.567 9.138 -1.716 1.00 53.14 O ATOM 662 OD2 ASP A 42 -9.849 10.486 -1.546 1.00 71.13 O ATOM 0 H ASP A 42 -8.010 6.375 -2.904 1.00 31.21 H new ATOM 0 HA ASP A 42 -10.439 7.506 -3.830 1.00 35.43 H new ATOM 0 HB2 ASP A 42 -9.688 7.342 -1.452 1.00 50.22 H new ATOM 0 HB3 ASP A 42 -8.393 8.475 -1.782 1.00 50.22 H new ATOM 667 N GLY A 43 -7.767 8.976 -4.899 1.00 52.42 N ATOM 668 CA GLY A 43 -7.267 10.035 -5.779 1.00 65.31 C ATOM 669 C GLY A 43 -6.481 11.117 -5.043 1.00 1.23 C ATOM 670 O GLY A 43 -6.754 12.311 -5.196 1.00 61.15 O ATOM 0 H GLY A 43 -7.082 8.252 -4.679 1.00 52.42 H new ATOM 0 HA2 GLY A 43 -6.630 9.591 -6.544 1.00 65.31 H new ATOM 0 HA3 GLY A 43 -8.109 10.496 -6.295 1.00 65.31 H new ATOM 674 N SER A 44 -5.491 10.700 -4.257 1.00 54.54 N ATOM 675 CA SER A 44 -4.657 11.633 -3.479 1.00 31.21 C ATOM 676 C SER A 44 -3.299 11.009 -3.139 1.00 70.41 C ATOM 677 O SER A 44 -3.175 9.786 -3.056 1.00 15.11 O ATOM 678 CB SER A 44 -5.373 12.047 -2.183 1.00 35.22 C ATOM 679 OG SER A 44 -4.593 12.964 -1.425 1.00 11.14 O ATOM 0 H SER A 44 -5.241 9.719 -4.137 1.00 54.54 H new ATOM 0 HA SER A 44 -4.490 12.517 -4.094 1.00 31.21 H new ATOM 0 HB2 SER A 44 -6.334 12.500 -2.426 1.00 35.22 H new ATOM 0 HB3 SER A 44 -5.581 11.161 -1.582 1.00 35.22 H new ATOM 0 HG SER A 44 -5.077 13.208 -0.609 1.00 11.14 H new ATOM 685 N ILE A 45 -2.285 11.847 -2.943 1.00 11.20 N ATOM 686 CA ILE A 45 -0.944 11.370 -2.595 1.00 12.11 C ATOM 687 C ILE A 45 -0.925 10.700 -1.209 1.00 33.12 C ATOM 688 O ILE A 45 -1.205 11.337 -0.190 1.00 44.24 O ATOM 689 CB ILE A 45 0.095 12.525 -2.624 1.00 4.13 C ATOM 690 CG1 ILE A 45 0.149 13.174 -4.021 1.00 63.52 C ATOM 691 CG2 ILE A 45 1.479 12.018 -2.211 1.00 33.50 C ATOM 692 CD1 ILE A 45 0.631 12.239 -5.117 1.00 61.44 C ATOM 0 H ILE A 45 -2.363 12.861 -3.019 1.00 11.20 H new ATOM 0 HA ILE A 45 -0.671 10.630 -3.347 1.00 12.11 H new ATOM 0 HB ILE A 45 -0.219 13.283 -1.907 1.00 4.13 H new ATOM 0 HG12 ILE A 45 -0.845 13.539 -4.280 1.00 63.52 H new ATOM 0 HG13 ILE A 45 0.807 14.042 -3.982 1.00 63.52 H new ATOM 0 HG21 ILE A 45 2.192 12.842 -2.238 1.00 33.50 H new ATOM 0 HG22 ILE A 45 1.431 11.613 -1.200 1.00 33.50 H new ATOM 0 HG23 ILE A 45 1.801 11.237 -2.900 1.00 33.50 H new ATOM 0 HD11 ILE A 45 0.641 12.769 -6.069 1.00 61.44 H new ATOM 0 HD12 ILE A 45 1.638 11.893 -4.884 1.00 61.44 H new ATOM 0 HD13 ILE A 45 -0.040 11.383 -5.186 1.00 61.44 H new ATOM 704 N GLN A 46 -0.602 9.410 -1.179 1.00 32.23 N ATOM 705 CA GLN A 46 -0.531 8.660 0.075 1.00 54.21 C ATOM 706 C GLN A 46 0.738 9.030 0.861 1.00 15.33 C ATOM 707 O GLN A 46 1.809 8.474 0.629 1.00 62.33 O ATOM 708 CB GLN A 46 -0.552 7.149 -0.206 1.00 53.52 C ATOM 709 CG GLN A 46 -0.619 6.272 1.048 1.00 51.44 C ATOM 710 CD GLN A 46 -1.993 6.273 1.714 1.00 13.22 C ATOM 711 OE1 GLN A 46 -2.734 7.245 1.646 1.00 41.22 O ATOM 712 NE2 GLN A 46 -2.340 5.179 2.363 1.00 54.35 N ATOM 0 H GLN A 46 -0.385 8.860 -2.010 1.00 32.23 H new ATOM 0 HA GLN A 46 -1.401 8.922 0.678 1.00 54.21 H new ATOM 0 HB2 GLN A 46 -1.409 6.922 -0.839 1.00 53.52 H new ATOM 0 HB3 GLN A 46 0.341 6.885 -0.772 1.00 53.52 H new ATOM 0 HG2 GLN A 46 -0.353 5.249 0.782 1.00 51.44 H new ATOM 0 HG3 GLN A 46 0.125 6.619 1.765 1.00 51.44 H new ATOM 0 HE21 GLN A 46 -1.701 4.385 2.402 1.00 54.35 H new ATOM 0 HE22 GLN A 46 -3.247 5.127 2.826 1.00 54.35 H new ATOM 721 N ASN A 47 0.604 9.987 1.772 1.00 43.14 N ATOM 722 CA ASN A 47 1.711 10.395 2.648 1.00 54.41 C ATOM 723 C ASN A 47 1.581 9.747 4.031 1.00 14.34 C ATOM 724 O ASN A 47 2.448 9.904 4.894 1.00 71.43 O ATOM 725 CB ASN A 47 1.734 11.922 2.789 1.00 44.04 C ATOM 726 CG ASN A 47 2.136 12.619 1.503 1.00 30.23 C ATOM 727 OD1 ASN A 47 2.930 12.106 0.724 1.00 2.54 O ATOM 728 ND2 ASN A 47 1.595 13.797 1.270 1.00 74.31 N ATOM 0 H ASN A 47 -0.263 10.501 1.928 1.00 43.14 H new ATOM 0 HA ASN A 47 2.645 10.060 2.196 1.00 54.41 H new ATOM 0 HB2 ASN A 47 0.747 12.270 3.094 1.00 44.04 H new ATOM 0 HB3 ASN A 47 2.429 12.200 3.581 1.00 44.04 H new ATOM 0 HD21 ASN A 47 1.834 14.309 0.421 1.00 74.31 H new ATOM 0 HD22 ASN A 47 0.937 14.197 1.939 1.00 74.31 H new ATOM 735 N GLN A 48 0.491 9.019 4.228 1.00 13.03 N ATOM 736 CA GLN A 48 0.210 8.365 5.502 1.00 41.23 C ATOM 737 C GLN A 48 0.820 6.955 5.529 1.00 42.30 C ATOM 738 O GLN A 48 0.292 6.023 4.920 1.00 65.44 O ATOM 739 CB GLN A 48 -1.308 8.300 5.739 1.00 55.00 C ATOM 740 CG GLN A 48 -2.010 9.665 5.707 1.00 15.53 C ATOM 741 CD GLN A 48 -2.024 10.313 4.323 1.00 4.30 C ATOM 742 OE1 GLN A 48 -2.032 9.636 3.301 1.00 53.44 O ATOM 743 NE2 GLN A 48 -2.007 11.631 4.279 1.00 3.20 N ATOM 0 H GLN A 48 -0.221 8.864 3.514 1.00 13.03 H new ATOM 0 HA GLN A 48 0.664 8.949 6.303 1.00 41.23 H new ATOM 0 HB2 GLN A 48 -1.755 7.656 4.981 1.00 55.00 H new ATOM 0 HB3 GLN A 48 -1.494 7.831 6.705 1.00 55.00 H new ATOM 0 HG2 GLN A 48 -3.037 9.545 6.053 1.00 15.53 H new ATOM 0 HG3 GLN A 48 -1.514 10.336 6.408 1.00 15.53 H new ATOM 0 HE21 GLN A 48 -2.001 12.170 5.145 1.00 3.20 H new ATOM 0 HE22 GLN A 48 -2.000 12.111 3.379 1.00 3.20 H new ATOM 752 N SER A 49 1.941 6.812 6.230 1.00 23.24 N ATOM 753 CA SER A 49 2.661 5.535 6.299 1.00 3.33 C ATOM 754 C SER A 49 1.878 4.487 7.097 1.00 4.22 C ATOM 755 O SER A 49 1.364 4.764 8.181 1.00 4.31 O ATOM 756 CB SER A 49 4.053 5.732 6.919 1.00 31.31 C ATOM 757 OG SER A 49 3.968 6.281 8.229 1.00 43.31 O ATOM 0 H SER A 49 2.376 7.566 6.762 1.00 23.24 H new ATOM 0 HA SER A 49 2.772 5.169 5.278 1.00 3.33 H new ATOM 0 HB2 SER A 49 4.574 4.775 6.958 1.00 31.31 H new ATOM 0 HB3 SER A 49 4.645 6.392 6.285 1.00 31.31 H new ATOM 0 HG SER A 49 4.870 6.392 8.596 1.00 43.31 H new ATOM 763 N LEU A 50 1.793 3.278 6.554 1.00 63.33 N ATOM 764 CA LEU A 50 1.059 2.188 7.205 1.00 35.15 C ATOM 765 C LEU A 50 2.013 1.173 7.865 1.00 14.22 C ATOM 766 O LEU A 50 2.974 0.705 7.249 1.00 15.54 O ATOM 767 CB LEU A 50 0.103 1.500 6.197 1.00 5.33 C ATOM 768 CG LEU A 50 0.596 1.400 4.733 1.00 72.12 C ATOM 769 CD1 LEU A 50 1.772 0.446 4.593 1.00 72.52 C ATOM 770 CD2 LEU A 50 -0.544 0.977 3.808 1.00 21.33 C ATOM 0 H LEU A 50 2.222 3.023 5.664 1.00 63.33 H new ATOM 0 HA LEU A 50 0.456 2.619 8.004 1.00 35.15 H new ATOM 0 HB2 LEU A 50 -0.104 0.492 6.557 1.00 5.33 H new ATOM 0 HB3 LEU A 50 -0.844 2.040 6.202 1.00 5.33 H new ATOM 0 HG LEU A 50 0.940 2.392 4.440 1.00 72.12 H new ATOM 0 HD11 LEU A 50 2.086 0.406 3.550 1.00 72.52 H new ATOM 0 HD12 LEU A 50 2.601 0.797 5.208 1.00 72.52 H new ATOM 0 HD13 LEU A 50 1.474 -0.550 4.921 1.00 72.52 H new ATOM 0 HD21 LEU A 50 -0.177 0.913 2.784 1.00 21.33 H new ATOM 0 HD22 LEU A 50 -0.923 0.004 4.119 1.00 21.33 H new ATOM 0 HD23 LEU A 50 -1.347 1.713 3.860 1.00 21.33 H new ATOM 782 N HIS A 51 1.744 0.844 9.128 1.00 14.33 N ATOM 783 CA HIS A 51 2.582 -0.097 9.878 1.00 42.32 C ATOM 784 C HIS A 51 2.275 -1.550 9.481 1.00 71.11 C ATOM 785 O HIS A 51 3.149 -2.418 9.523 1.00 34.00 O ATOM 786 CB HIS A 51 2.386 0.107 11.386 1.00 21.32 C ATOM 787 CG HIS A 51 2.882 1.435 11.883 1.00 22.23 C ATOM 788 ND1 HIS A 51 4.123 1.608 12.459 1.00 33.35 N ATOM 789 CD2 HIS A 51 2.300 2.661 11.891 1.00 74.11 C ATOM 790 CE1 HIS A 51 4.285 2.870 12.793 1.00 45.54 C ATOM 791 NE2 HIS A 51 3.196 3.532 12.462 1.00 41.54 N ATOM 0 H HIS A 51 0.953 1.214 9.655 1.00 14.33 H new ATOM 0 HA HIS A 51 3.625 0.101 9.631 1.00 42.32 H new ATOM 0 HB2 HIS A 51 1.326 0.013 11.622 1.00 21.32 H new ATOM 0 HB3 HIS A 51 2.904 -0.688 11.922 1.00 21.32 H new ATOM 0 HD2 HIS A 51 1.316 2.906 11.518 1.00 74.11 H new ATOM 0 HE1 HIS A 51 5.163 3.292 13.260 1.00 45.54 H new ATOM 0 HE2 HIS A 51 3.042 4.530 12.606 1.00 41.54 H new ATOM 800 N GLU A 52 1.025 -1.800 9.104 1.00 70.00 N ATOM 801 CA GLU A 52 0.613 -3.094 8.552 1.00 61.43 C ATOM 802 C GLU A 52 -0.205 -2.882 7.265 1.00 53.11 C ATOM 803 O GLU A 52 -0.995 -1.937 7.167 1.00 61.22 O ATOM 804 CB GLU A 52 -0.219 -3.903 9.564 1.00 60.15 C ATOM 805 CG GLU A 52 0.505 -4.269 10.865 1.00 14.23 C ATOM 806 CD GLU A 52 0.512 -3.145 11.897 1.00 71.34 C ATOM 807 OE1 GLU A 52 -0.553 -2.529 12.112 1.00 34.13 O ATOM 808 OE2 GLU A 52 1.568 -2.899 12.519 1.00 43.05 O ATOM 0 H GLU A 52 0.270 -1.118 9.170 1.00 70.00 H new ATOM 0 HA GLU A 52 1.517 -3.660 8.326 1.00 61.43 H new ATOM 0 HB2 GLU A 52 -1.113 -3.331 9.814 1.00 60.15 H new ATOM 0 HB3 GLU A 52 -0.553 -4.822 9.082 1.00 60.15 H new ATOM 0 HG2 GLU A 52 0.030 -5.148 11.301 1.00 14.23 H new ATOM 0 HG3 GLU A 52 1.534 -4.545 10.633 1.00 14.23 H new ATOM 815 N ALA A 53 -0.023 -3.764 6.284 1.00 71.02 N ATOM 816 CA ALA A 53 -0.716 -3.641 4.995 1.00 73.53 C ATOM 817 C ALA A 53 -1.233 -4.996 4.490 1.00 24.01 C ATOM 818 O ALA A 53 -0.842 -6.055 4.991 1.00 24.11 O ATOM 819 CB ALA A 53 0.210 -3.009 3.964 1.00 73.34 C ATOM 0 H ALA A 53 0.596 -4.571 6.353 1.00 71.02 H new ATOM 0 HA ALA A 53 -1.583 -2.998 5.144 1.00 73.53 H new ATOM 0 HB1 ALA A 53 -0.312 -2.922 3.011 1.00 73.34 H new ATOM 0 HB2 ALA A 53 0.512 -2.019 4.305 1.00 73.34 H new ATOM 0 HB3 ALA A 53 1.094 -3.634 3.837 1.00 73.34 H new ATOM 825 N LEU A 54 -2.100 -4.953 3.484 1.00 0.52 N ATOM 826 CA LEU A 54 -2.717 -6.159 2.921 1.00 63.43 C ATOM 827 C LEU A 54 -2.396 -6.316 1.425 1.00 55.45 C ATOM 828 O LEU A 54 -2.680 -5.429 0.628 1.00 21.03 O ATOM 829 CB LEU A 54 -4.238 -6.103 3.117 1.00 53.04 C ATOM 830 CG LEU A 54 -4.717 -6.088 4.577 1.00 41.51 C ATOM 831 CD1 LEU A 54 -6.222 -5.837 4.647 1.00 51.23 C ATOM 832 CD2 LEU A 54 -4.356 -7.397 5.277 1.00 0.12 C ATOM 0 H LEU A 54 -2.397 -4.087 3.034 1.00 0.52 H new ATOM 0 HA LEU A 54 -2.305 -7.021 3.446 1.00 63.43 H new ATOM 0 HB2 LEU A 54 -4.618 -5.211 2.619 1.00 53.04 H new ATOM 0 HB3 LEU A 54 -4.683 -6.962 2.616 1.00 53.04 H new ATOM 0 HG LEU A 54 -4.210 -5.274 5.094 1.00 41.51 H new ATOM 0 HD11 LEU A 54 -6.542 -5.830 5.689 1.00 51.23 H new ATOM 0 HD12 LEU A 54 -6.452 -4.874 4.191 1.00 51.23 H new ATOM 0 HD13 LEU A 54 -6.748 -6.627 4.111 1.00 51.23 H new ATOM 0 HD21 LEU A 54 -4.704 -7.366 6.309 1.00 0.12 H new ATOM 0 HD22 LEU A 54 -4.832 -8.230 4.759 1.00 0.12 H new ATOM 0 HD23 LEU A 54 -3.274 -7.531 5.263 1.00 0.12 H new ATOM 844 N ILE A 55 -1.820 -7.452 1.052 1.00 64.12 N ATOM 845 CA ILE A 55 -1.453 -7.717 -0.345 1.00 42.15 C ATOM 846 C ILE A 55 -2.470 -8.653 -1.029 1.00 32.21 C ATOM 847 O ILE A 55 -3.009 -9.570 -0.403 1.00 3.35 O ATOM 848 CB ILE A 55 -0.033 -8.339 -0.431 1.00 30.20 C ATOM 849 CG1 ILE A 55 0.401 -8.535 -1.894 1.00 0.01 C ATOM 850 CG2 ILE A 55 0.027 -9.662 0.335 1.00 63.50 C ATOM 851 CD1 ILE A 55 0.536 -7.241 -2.674 1.00 12.42 C ATOM 0 H ILE A 55 -1.594 -8.211 1.695 1.00 64.12 H new ATOM 0 HA ILE A 55 -1.459 -6.761 -0.868 1.00 42.15 H new ATOM 0 HB ILE A 55 0.665 -7.643 0.034 1.00 30.20 H new ATOM 0 HG12 ILE A 55 1.356 -9.060 -1.912 1.00 0.01 H new ATOM 0 HG13 ILE A 55 -0.324 -9.176 -2.395 1.00 0.01 H new ATOM 0 HG21 ILE A 55 1.031 -10.080 0.261 1.00 63.50 H new ATOM 0 HG22 ILE A 55 -0.217 -9.487 1.383 1.00 63.50 H new ATOM 0 HG23 ILE A 55 -0.690 -10.363 -0.093 1.00 63.50 H new ATOM 0 HD11 ILE A 55 0.845 -7.462 -3.696 1.00 12.42 H new ATOM 0 HD12 ILE A 55 -0.423 -6.723 -2.689 1.00 12.42 H new ATOM 0 HD13 ILE A 55 1.283 -6.606 -2.199 1.00 12.42 H new ATOM 863 N THR A 56 -2.737 -8.410 -2.310 1.00 50.11 N ATOM 864 CA THR A 56 -3.650 -9.268 -3.082 1.00 35.12 C ATOM 865 C THR A 56 -2.933 -10.509 -3.641 1.00 31.43 C ATOM 866 O THR A 56 -1.710 -10.530 -3.794 1.00 61.00 O ATOM 867 CB THR A 56 -4.300 -8.512 -4.267 1.00 1.41 C ATOM 868 OG1 THR A 56 -3.306 -8.158 -5.246 1.00 11.22 O ATOM 869 CG2 THR A 56 -5.022 -7.254 -3.792 1.00 54.31 C ATOM 0 H THR A 56 -2.340 -7.633 -2.838 1.00 50.11 H new ATOM 0 HA THR A 56 -4.425 -9.575 -2.380 1.00 35.12 H new ATOM 0 HB THR A 56 -5.031 -9.180 -4.722 1.00 1.41 H new ATOM 0 HG1 THR A 56 -3.175 -8.907 -5.865 1.00 11.22 H new ATOM 0 HG21 THR A 56 -5.468 -6.746 -4.647 1.00 54.31 H new ATOM 0 HG22 THR A 56 -5.805 -7.529 -3.085 1.00 54.31 H new ATOM 0 HG23 THR A 56 -4.310 -6.588 -3.305 1.00 54.31 H new ATOM 877 N ARG A 57 -3.719 -11.533 -3.966 1.00 62.44 N ATOM 878 CA ARG A 57 -3.202 -12.784 -4.541 1.00 54.50 C ATOM 879 C ARG A 57 -2.313 -12.549 -5.783 1.00 42.31 C ATOM 880 O ARG A 57 -1.335 -13.262 -6.002 1.00 15.11 O ATOM 881 CB ARG A 57 -4.399 -13.676 -4.908 1.00 12.41 C ATOM 882 CG ARG A 57 -4.046 -14.954 -5.664 1.00 53.12 C ATOM 883 CD ARG A 57 -3.174 -15.903 -4.848 1.00 64.22 C ATOM 884 NE ARG A 57 -2.996 -17.176 -5.538 1.00 32.14 N ATOM 885 CZ ARG A 57 -1.866 -17.812 -5.640 1.00 72.42 C ATOM 886 NH1 ARG A 57 -0.793 -17.356 -5.069 1.00 3.53 N ATOM 887 NH2 ARG A 57 -1.820 -18.918 -6.304 1.00 75.21 N ATOM 0 H ARG A 57 -4.731 -11.524 -3.841 1.00 62.44 H new ATOM 0 HA ARG A 57 -2.568 -13.266 -3.797 1.00 54.50 H new ATOM 0 HB2 ARG A 57 -4.924 -13.947 -3.992 1.00 12.41 H new ATOM 0 HB3 ARG A 57 -5.094 -13.094 -5.514 1.00 12.41 H new ATOM 0 HG2 ARG A 57 -4.964 -15.467 -5.950 1.00 53.12 H new ATOM 0 HG3 ARG A 57 -3.527 -14.693 -6.586 1.00 53.12 H new ATOM 0 HD2 ARG A 57 -2.202 -15.444 -4.668 1.00 64.22 H new ATOM 0 HD3 ARG A 57 -3.631 -16.075 -3.873 1.00 64.22 H new ATOM 0 HE ARG A 57 -3.817 -17.598 -5.972 1.00 32.14 H new ATOM 0 HH11 ARG A 57 -0.830 -16.489 -4.533 1.00 3.53 H new ATOM 0 HH12 ARG A 57 0.087 -17.865 -5.157 1.00 3.53 H new ATOM 0 HH21 ARG A 57 -2.665 -19.285 -6.742 1.00 75.21 H new ATOM 0 HH22 ARG A 57 -0.939 -19.425 -6.390 1.00 75.21 H new ATOM 901 N ASP A 58 -2.652 -11.538 -6.579 1.00 3.13 N ATOM 902 CA ASP A 58 -1.952 -11.269 -7.847 1.00 40.31 C ATOM 903 C ASP A 58 -0.771 -10.294 -7.684 1.00 54.12 C ATOM 904 O ASP A 58 -0.117 -9.939 -8.673 1.00 64.21 O ATOM 905 CB ASP A 58 -2.940 -10.674 -8.851 1.00 62.12 C ATOM 906 CG ASP A 58 -4.292 -11.356 -8.798 1.00 4.02 C ATOM 907 OD1 ASP A 58 -5.092 -11.014 -7.902 1.00 11.21 O ATOM 908 OD2 ASP A 58 -4.565 -12.219 -9.650 1.00 45.01 O ATOM 0 H ASP A 58 -3.409 -10.886 -6.374 1.00 3.13 H new ATOM 0 HA ASP A 58 -1.551 -12.220 -8.198 1.00 40.31 H new ATOM 0 HB2 ASP A 58 -3.064 -9.610 -8.649 1.00 62.12 H new ATOM 0 HB3 ASP A 58 -2.530 -10.762 -9.857 1.00 62.12 H new ATOM 913 N ARG A 59 -0.510 -9.846 -6.450 1.00 30.54 N ATOM 914 CA ARG A 59 0.490 -8.795 -6.209 1.00 3.52 C ATOM 915 C ARG A 59 0.181 -7.558 -7.077 1.00 21.30 C ATOM 916 O ARG A 59 1.064 -7.000 -7.732 1.00 23.02 O ATOM 917 CB ARG A 59 1.910 -9.328 -6.507 1.00 60.22 C ATOM 918 CG ARG A 59 2.348 -10.490 -5.612 1.00 41.44 C ATOM 919 CD ARG A 59 2.730 -10.027 -4.210 1.00 4.33 C ATOM 920 NE ARG A 59 2.937 -11.153 -3.298 1.00 11.13 N ATOM 921 CZ ARG A 59 3.900 -11.231 -2.418 1.00 50.33 C ATOM 922 NH1 ARG A 59 4.834 -10.336 -2.365 1.00 11.11 N ATOM 923 NH2 ARG A 59 3.955 -12.236 -1.609 1.00 63.12 N ATOM 0 H ARG A 59 -0.972 -10.190 -5.608 1.00 30.54 H new ATOM 0 HA ARG A 59 0.446 -8.501 -5.160 1.00 3.52 H new ATOM 0 HB2 ARG A 59 1.953 -9.650 -7.547 1.00 60.22 H new ATOM 0 HB3 ARG A 59 2.623 -8.511 -6.396 1.00 60.22 H new ATOM 0 HG2 ARG A 59 1.540 -11.218 -5.544 1.00 41.44 H new ATOM 0 HG3 ARG A 59 3.197 -10.998 -6.069 1.00 41.44 H new ATOM 0 HD2 ARG A 59 3.640 -9.430 -4.261 1.00 4.33 H new ATOM 0 HD3 ARG A 59 1.946 -9.380 -3.816 1.00 4.33 H new ATOM 0 HE ARG A 59 2.282 -11.933 -3.353 1.00 11.13 H new ATOM 0 HH11 ARG A 59 4.827 -9.552 -3.018 1.00 11.11 H new ATOM 0 HH12 ARG A 59 5.577 -10.415 -1.671 1.00 11.11 H new ATOM 0 HH21 ARG A 59 3.247 -12.969 -1.657 1.00 63.12 H new ATOM 0 HH22 ARG A 59 4.707 -12.297 -0.922 1.00 63.12 H new ATOM 937 N LYS A 60 -1.093 -7.150 -7.084 1.00 3.32 N ATOM 938 CA LYS A 60 -1.560 -6.053 -7.951 1.00 53.40 C ATOM 939 C LYS A 60 -2.010 -4.827 -7.136 1.00 31.13 C ATOM 940 O LYS A 60 -1.853 -3.685 -7.576 1.00 74.14 O ATOM 941 CB LYS A 60 -2.711 -6.546 -8.851 1.00 13.41 C ATOM 942 CG LYS A 60 -3.976 -6.950 -8.091 1.00 52.13 C ATOM 943 CD LYS A 60 -4.983 -7.666 -8.994 1.00 20.03 C ATOM 944 CE LYS A 60 -6.239 -8.080 -8.229 1.00 22.12 C ATOM 945 NZ LYS A 60 -7.085 -9.018 -9.014 1.00 1.43 N ATOM 0 H LYS A 60 -1.822 -7.561 -6.500 1.00 3.32 H new ATOM 0 HA LYS A 60 -0.720 -5.742 -8.572 1.00 53.40 H new ATOM 0 HB2 LYS A 60 -2.964 -5.759 -9.561 1.00 13.41 H new ATOM 0 HB3 LYS A 60 -2.362 -7.400 -9.432 1.00 13.41 H new ATOM 0 HG2 LYS A 60 -3.707 -7.602 -7.260 1.00 52.13 H new ATOM 0 HG3 LYS A 60 -4.441 -6.062 -7.662 1.00 52.13 H new ATOM 0 HD2 LYS A 60 -5.260 -7.011 -9.820 1.00 20.03 H new ATOM 0 HD3 LYS A 60 -4.516 -8.549 -9.430 1.00 20.03 H new ATOM 0 HE2 LYS A 60 -5.952 -8.551 -7.289 1.00 22.12 H new ATOM 0 HE3 LYS A 60 -6.819 -7.192 -7.977 1.00 22.12 H new ATOM 0 HZ1 LYS A 60 -8.065 -8.974 -8.668 1.00 1.43 H new ATOM 0 HZ2 LYS A 60 -7.060 -8.750 -10.019 1.00 1.43 H new ATOM 0 HZ3 LYS A 60 -6.723 -9.987 -8.905 1.00 1.43 H new ATOM 959 N GLN A 61 -2.563 -5.061 -5.947 1.00 13.54 N ATOM 960 CA GLN A 61 -3.030 -3.969 -5.077 1.00 34.41 C ATOM 961 C GLN A 61 -2.647 -4.222 -3.611 1.00 52.44 C ATOM 962 O GLN A 61 -2.464 -5.368 -3.195 1.00 4.52 O ATOM 963 CB GLN A 61 -4.555 -3.794 -5.204 1.00 60.25 C ATOM 964 CG GLN A 61 -5.011 -3.299 -6.576 1.00 53.14 C ATOM 965 CD GLN A 61 -6.524 -3.269 -6.731 1.00 12.32 C ATOM 966 OE1 GLN A 61 -7.261 -3.094 -5.767 1.00 4.21 O ATOM 967 NE2 GLN A 61 -7.002 -3.430 -7.949 1.00 20.23 N ATOM 0 H GLN A 61 -2.701 -5.994 -5.559 1.00 13.54 H new ATOM 0 HA GLN A 61 -2.540 -3.051 -5.402 1.00 34.41 H new ATOM 0 HB2 GLN A 61 -5.039 -4.748 -4.994 1.00 60.25 H new ATOM 0 HB3 GLN A 61 -4.894 -3.090 -4.444 1.00 60.25 H new ATOM 0 HG2 GLN A 61 -4.615 -2.297 -6.743 1.00 53.14 H new ATOM 0 HG3 GLN A 61 -4.586 -3.942 -7.347 1.00 53.14 H new ATOM 0 HE21 GLN A 61 -6.365 -3.574 -8.732 1.00 20.23 H new ATOM 0 HE22 GLN A 61 -8.009 -3.411 -8.108 1.00 20.23 H new ATOM 976 N VAL A 62 -2.518 -3.142 -2.842 1.00 34.14 N ATOM 977 CA VAL A 62 -2.168 -3.220 -1.418 1.00 72.14 C ATOM 978 C VAL A 62 -3.106 -2.346 -0.570 1.00 3.04 C ATOM 979 O VAL A 62 -3.178 -1.133 -0.762 1.00 0.01 O ATOM 980 CB VAL A 62 -0.700 -2.770 -1.169 1.00 54.54 C ATOM 981 CG1 VAL A 62 -0.338 -2.867 0.313 1.00 31.13 C ATOM 982 CG2 VAL A 62 0.272 -3.588 -2.015 1.00 30.40 C ATOM 0 H VAL A 62 -2.652 -2.190 -3.183 1.00 34.14 H new ATOM 0 HA VAL A 62 -2.277 -4.264 -1.123 1.00 72.14 H new ATOM 0 HB VAL A 62 -0.618 -1.725 -1.469 1.00 54.54 H new ATOM 0 HG11 VAL A 62 0.694 -2.546 0.457 1.00 31.13 H new ATOM 0 HG12 VAL A 62 -1.002 -2.225 0.892 1.00 31.13 H new ATOM 0 HG13 VAL A 62 -0.447 -3.899 0.647 1.00 31.13 H new ATOM 0 HG21 VAL A 62 1.292 -3.254 -1.823 1.00 30.40 H new ATOM 0 HG22 VAL A 62 0.181 -4.643 -1.756 1.00 30.40 H new ATOM 0 HG23 VAL A 62 0.039 -3.452 -3.071 1.00 30.40 H new ATOM 992 N PHE A 63 -3.824 -2.961 0.366 1.00 52.02 N ATOM 993 CA PHE A 63 -4.728 -2.226 1.263 1.00 52.42 C ATOM 994 C PHE A 63 -4.047 -1.904 2.601 1.00 0.41 C ATOM 995 O PHE A 63 -2.914 -2.314 2.850 1.00 2.42 O ATOM 996 CB PHE A 63 -6.019 -3.026 1.502 1.00 44.35 C ATOM 997 CG PHE A 63 -6.958 -3.040 0.319 1.00 22.15 C ATOM 998 CD1 PHE A 63 -6.582 -3.631 -0.882 1.00 4.12 C ATOM 999 CD2 PHE A 63 -8.221 -2.465 0.408 1.00 42.21 C ATOM 1000 CE1 PHE A 63 -7.441 -3.645 -1.965 1.00 60.14 C ATOM 1001 CE2 PHE A 63 -9.082 -2.475 -0.674 1.00 71.13 C ATOM 1002 CZ PHE A 63 -8.692 -3.068 -1.860 1.00 23.33 C ATOM 0 H PHE A 63 -3.801 -3.968 0.528 1.00 52.02 H new ATOM 0 HA PHE A 63 -4.982 -1.283 0.778 1.00 52.42 H new ATOM 0 HB2 PHE A 63 -5.757 -4.053 1.757 1.00 44.35 H new ATOM 0 HB3 PHE A 63 -6.541 -2.607 2.362 1.00 44.35 H new ATOM 0 HD1 PHE A 63 -5.606 -4.085 -0.970 1.00 4.12 H new ATOM 0 HD2 PHE A 63 -8.533 -2.005 1.334 1.00 42.21 H new ATOM 0 HE1 PHE A 63 -7.135 -4.106 -2.892 1.00 60.14 H new ATOM 0 HE2 PHE A 63 -10.058 -2.020 -0.592 1.00 71.13 H new ATOM 0 HZ PHE A 63 -9.365 -3.080 -2.705 1.00 23.33 H new ATOM 1012 N ARG A 64 -4.753 -1.182 3.467 1.00 44.51 N ATOM 1013 CA ARG A 64 -4.163 -0.665 4.709 1.00 34.11 C ATOM 1014 C ARG A 64 -4.783 -1.298 5.969 1.00 50.30 C ATOM 1015 O ARG A 64 -5.954 -1.676 5.984 1.00 14.44 O ATOM 1016 CB ARG A 64 -4.338 0.861 4.747 1.00 75.11 C ATOM 1017 CG ARG A 64 -3.725 1.529 5.970 1.00 21.21 C ATOM 1018 CD ARG A 64 -3.934 3.038 5.951 1.00 14.14 C ATOM 1019 NE ARG A 64 -3.364 3.680 7.130 1.00 53.31 N ATOM 1020 CZ ARG A 64 -3.626 4.899 7.507 1.00 25.50 C ATOM 1021 NH1 ARG A 64 -4.455 5.640 6.841 1.00 0.41 N ATOM 1022 NH2 ARG A 64 -3.064 5.374 8.569 1.00 1.10 N ATOM 0 H ARG A 64 -5.735 -0.939 3.336 1.00 44.51 H new ATOM 0 HA ARG A 64 -3.106 -0.930 4.712 1.00 34.11 H new ATOM 0 HB2 ARG A 64 -3.890 1.289 3.850 1.00 75.11 H new ATOM 0 HB3 ARG A 64 -5.402 1.094 4.715 1.00 75.11 H new ATOM 0 HG2 ARG A 64 -4.169 1.111 6.874 1.00 21.21 H new ATOM 0 HG3 ARG A 64 -2.658 1.310 6.008 1.00 21.21 H new ATOM 0 HD2 ARG A 64 -3.478 3.456 5.054 1.00 14.14 H new ATOM 0 HD3 ARG A 64 -5.001 3.256 5.898 1.00 14.14 H new ATOM 0 HE ARG A 64 -2.715 3.137 7.699 1.00 53.31 H new ATOM 0 HH11 ARG A 64 -4.913 5.271 6.008 1.00 0.41 H new ATOM 0 HH12 ARG A 64 -4.649 6.593 7.150 1.00 0.41 H new ATOM 0 HH21 ARG A 64 -2.419 4.795 9.107 1.00 1.10 H new ATOM 0 HH22 ARG A 64 -3.265 6.328 8.869 1.00 1.10 H new ATOM 1036 N ILE A 65 -3.984 -1.416 7.030 1.00 14.44 N ATOM 1037 CA ILE A 65 -4.479 -1.854 8.340 1.00 51.11 C ATOM 1038 C ILE A 65 -4.325 -0.730 9.378 1.00 64.31 C ATOM 1039 O ILE A 65 -3.226 -0.208 9.583 1.00 31.41 O ATOM 1040 CB ILE A 65 -3.734 -3.122 8.840 1.00 63.03 C ATOM 1041 CG1 ILE A 65 -3.971 -4.301 7.879 1.00 41.31 C ATOM 1042 CG2 ILE A 65 -4.164 -3.488 10.262 1.00 75.33 C ATOM 1043 CD1 ILE A 65 -3.284 -5.588 8.297 1.00 23.25 C ATOM 0 H ILE A 65 -2.985 -1.213 7.009 1.00 14.44 H new ATOM 0 HA ILE A 65 -5.534 -2.099 8.220 1.00 51.11 H new ATOM 0 HB ILE A 65 -2.667 -2.902 8.860 1.00 63.03 H new ATOM 0 HG12 ILE A 65 -5.043 -4.483 7.801 1.00 41.31 H new ATOM 0 HG13 ILE A 65 -3.622 -4.022 6.885 1.00 41.31 H new ATOM 0 HG21 ILE A 65 -3.627 -4.379 10.587 1.00 75.33 H new ATOM 0 HG22 ILE A 65 -3.936 -2.662 10.935 1.00 75.33 H new ATOM 0 HG23 ILE A 65 -5.236 -3.684 10.279 1.00 75.33 H new ATOM 0 HD11 ILE A 65 -3.500 -6.369 7.568 1.00 23.25 H new ATOM 0 HD12 ILE A 65 -2.207 -5.426 8.347 1.00 23.25 H new ATOM 0 HD13 ILE A 65 -3.650 -5.894 9.277 1.00 23.25 H new ATOM 1055 N GLU A 66 -5.425 -0.352 10.023 1.00 44.13 N ATOM 1056 CA GLU A 66 -5.402 0.703 11.043 1.00 20.43 C ATOM 1057 C GLU A 66 -5.501 0.102 12.451 1.00 11.23 C ATOM 1058 O GLU A 66 -6.313 -0.794 12.696 1.00 61.13 O ATOM 1059 CB GLU A 66 -6.548 1.699 10.810 1.00 4.14 C ATOM 1060 CG GLU A 66 -6.647 2.801 11.862 1.00 74.12 C ATOM 1061 CD GLU A 66 -5.445 3.735 11.874 1.00 30.22 C ATOM 1062 OE1 GLU A 66 -4.408 3.377 12.474 1.00 14.23 O ATOM 1063 OE2 GLU A 66 -5.533 4.837 11.292 1.00 44.40 O ATOM 0 H GLU A 66 -6.346 -0.758 9.860 1.00 44.13 H new ATOM 0 HA GLU A 66 -4.453 1.234 10.961 1.00 20.43 H new ATOM 0 HB2 GLU A 66 -6.420 2.159 9.830 1.00 4.14 H new ATOM 0 HB3 GLU A 66 -7.490 1.151 10.785 1.00 4.14 H new ATOM 0 HG2 GLU A 66 -7.550 3.385 11.682 1.00 74.12 H new ATOM 0 HG3 GLU A 66 -6.753 2.345 12.846 1.00 74.12 H new ATOM 1070 N ASP A 67 -4.684 0.614 13.374 1.00 74.13 N ATOM 1071 CA ASP A 67 -4.588 0.071 14.734 1.00 63.25 C ATOM 1072 C ASP A 67 -4.163 -1.416 14.699 1.00 14.12 C ATOM 1073 O ASP A 67 -2.971 -1.732 14.762 1.00 11.53 O ATOM 1074 CB ASP A 67 -5.928 0.247 15.471 1.00 50.12 C ATOM 1075 CG ASP A 67 -5.861 -0.162 16.931 1.00 24.13 C ATOM 1076 OD1 ASP A 67 -6.017 -1.364 17.224 1.00 75.22 O ATOM 1077 OD2 ASP A 67 -5.670 0.720 17.793 1.00 74.54 O ATOM 0 H ASP A 67 -4.073 1.412 13.203 1.00 74.13 H new ATOM 0 HA ASP A 67 -3.822 0.623 15.279 1.00 63.25 H new ATOM 0 HB2 ASP A 67 -6.238 1.290 15.406 1.00 50.12 H new ATOM 0 HB3 ASP A 67 -6.693 -0.345 14.968 1.00 50.12 H new ATOM 1082 N SER A 68 -5.142 -2.311 14.576 1.00 2.53 N ATOM 1083 CA SER A 68 -4.895 -3.754 14.411 1.00 0.25 C ATOM 1084 C SER A 68 -5.978 -4.394 13.531 1.00 54.44 C ATOM 1085 O SER A 68 -6.064 -5.617 13.414 1.00 71.04 O ATOM 1086 CB SER A 68 -4.860 -4.464 15.774 1.00 3.53 C ATOM 1087 OG SER A 68 -3.737 -4.060 16.549 1.00 11.22 O ATOM 0 H SER A 68 -6.131 -2.062 14.587 1.00 2.53 H new ATOM 0 HA SER A 68 -3.926 -3.869 13.926 1.00 0.25 H new ATOM 0 HB2 SER A 68 -5.777 -4.246 16.321 1.00 3.53 H new ATOM 0 HB3 SER A 68 -4.828 -5.543 15.622 1.00 3.53 H new ATOM 0 HG SER A 68 -3.231 -3.377 16.061 1.00 11.22 H new ATOM 1093 N ILE A 69 -6.792 -3.551 12.897 1.00 71.14 N ATOM 1094 CA ILE A 69 -7.954 -4.010 12.125 1.00 60.05 C ATOM 1095 C ILE A 69 -7.740 -3.815 10.612 1.00 73.12 C ATOM 1096 O ILE A 69 -7.365 -2.724 10.169 1.00 10.45 O ATOM 1097 CB ILE A 69 -9.232 -3.241 12.554 1.00 41.31 C ATOM 1098 CG1 ILE A 69 -9.407 -3.283 14.085 1.00 4.23 C ATOM 1099 CG2 ILE A 69 -10.469 -3.802 11.854 1.00 3.34 C ATOM 1100 CD1 ILE A 69 -9.497 -4.682 14.664 1.00 31.10 C ATOM 0 H ILE A 69 -6.669 -2.538 12.901 1.00 71.14 H new ATOM 0 HA ILE A 69 -8.075 -5.074 12.330 1.00 60.05 H new ATOM 0 HB ILE A 69 -9.116 -2.200 12.252 1.00 41.31 H new ATOM 0 HG12 ILE A 69 -8.569 -2.763 14.549 1.00 4.23 H new ATOM 0 HG13 ILE A 69 -10.310 -2.733 14.351 1.00 4.23 H new ATOM 0 HG21 ILE A 69 -11.351 -3.246 12.172 1.00 3.34 H new ATOM 0 HG22 ILE A 69 -10.350 -3.708 10.775 1.00 3.34 H new ATOM 0 HG23 ILE A 69 -10.590 -4.853 12.115 1.00 3.34 H new ATOM 0 HD11 ILE A 69 -9.619 -4.621 15.745 1.00 31.10 H new ATOM 0 HD12 ILE A 69 -10.352 -5.201 14.231 1.00 31.10 H new ATOM 0 HD13 ILE A 69 -8.584 -5.231 14.432 1.00 31.10 H new ATOM 1112 N PRO A 70 -7.970 -4.868 9.800 1.00 10.13 N ATOM 1113 CA PRO A 70 -7.864 -4.773 8.331 1.00 33.51 C ATOM 1114 C PRO A 70 -8.882 -3.790 7.727 1.00 73.24 C ATOM 1115 O PRO A 70 -10.090 -4.037 7.753 1.00 61.22 O ATOM 1116 CB PRO A 70 -8.153 -6.210 7.852 1.00 21.53 C ATOM 1117 CG PRO A 70 -7.953 -7.075 9.050 1.00 54.01 C ATOM 1118 CD PRO A 70 -8.333 -6.232 10.235 1.00 35.24 C ATOM 0 HA PRO A 70 -6.890 -4.395 8.022 1.00 33.51 H new ATOM 0 HB2 PRO A 70 -9.169 -6.299 7.468 1.00 21.53 H new ATOM 0 HB3 PRO A 70 -7.481 -6.497 7.043 1.00 21.53 H new ATOM 0 HG2 PRO A 70 -8.572 -7.970 8.993 1.00 54.01 H new ATOM 0 HG3 PRO A 70 -6.918 -7.408 9.123 1.00 54.01 H new ATOM 0 HD2 PRO A 70 -9.395 -6.313 10.465 1.00 35.24 H new ATOM 0 HD3 PRO A 70 -7.789 -6.528 11.132 1.00 35.24 H new ATOM 1126 N VAL A 71 -8.393 -2.676 7.183 1.00 55.44 N ATOM 1127 CA VAL A 71 -9.264 -1.680 6.558 1.00 34.33 C ATOM 1128 C VAL A 71 -9.575 -2.065 5.102 1.00 21.10 C ATOM 1129 O VAL A 71 -8.745 -1.885 4.210 1.00 0.13 O ATOM 1130 CB VAL A 71 -8.631 -0.265 6.595 1.00 32.22 C ATOM 1131 CG1 VAL A 71 -9.562 0.774 5.967 1.00 11.31 C ATOM 1132 CG2 VAL A 71 -8.269 0.124 8.030 1.00 74.21 C ATOM 0 H VAL A 71 -7.401 -2.440 7.162 1.00 55.44 H new ATOM 0 HA VAL A 71 -10.191 -1.659 7.131 1.00 34.33 H new ATOM 0 HB VAL A 71 -7.715 -0.289 6.004 1.00 32.22 H new ATOM 0 HG11 VAL A 71 -9.091 1.756 6.008 1.00 11.31 H new ATOM 0 HG12 VAL A 71 -9.757 0.507 4.928 1.00 11.31 H new ATOM 0 HG13 VAL A 71 -10.503 0.800 6.517 1.00 11.31 H new ATOM 0 HG21 VAL A 71 -7.826 1.120 8.036 1.00 74.21 H new ATOM 0 HG22 VAL A 71 -9.169 0.123 8.645 1.00 74.21 H new ATOM 0 HG23 VAL A 71 -7.554 -0.594 8.432 1.00 74.21 H new ATOM 1142 N LEU A 72 -10.774 -2.594 4.871 1.00 75.02 N ATOM 1143 CA LEU A 72 -11.174 -3.079 3.543 1.00 41.31 C ATOM 1144 C LEU A 72 -11.777 -1.955 2.681 1.00 24.44 C ATOM 1145 O LEU A 72 -12.410 -2.210 1.653 1.00 73.32 O ATOM 1146 CB LEU A 72 -12.179 -4.231 3.696 1.00 10.33 C ATOM 1147 CG LEU A 72 -11.735 -5.367 4.642 1.00 33.31 C ATOM 1148 CD1 LEU A 72 -12.784 -6.477 4.702 1.00 11.20 C ATOM 1149 CD2 LEU A 72 -10.382 -5.931 4.213 1.00 74.00 C ATOM 0 H LEU A 72 -11.492 -2.700 5.587 1.00 75.02 H new ATOM 0 HA LEU A 72 -10.281 -3.437 3.031 1.00 41.31 H new ATOM 0 HB2 LEU A 72 -13.122 -3.824 4.060 1.00 10.33 H new ATOM 0 HB3 LEU A 72 -12.374 -4.655 2.711 1.00 10.33 H new ATOM 0 HG LEU A 72 -11.632 -4.946 5.642 1.00 33.31 H new ATOM 0 HD11 LEU A 72 -12.444 -7.263 5.376 1.00 11.20 H new ATOM 0 HD12 LEU A 72 -13.726 -6.068 5.068 1.00 11.20 H new ATOM 0 HD13 LEU A 72 -12.932 -6.892 3.705 1.00 11.20 H new ATOM 0 HD21 LEU A 72 -10.089 -6.730 4.894 1.00 74.00 H new ATOM 0 HD22 LEU A 72 -10.457 -6.326 3.200 1.00 74.00 H new ATOM 0 HD23 LEU A 72 -9.633 -5.139 4.239 1.00 74.00 H new ATOM 1161 N LEU A 73 -11.561 -0.713 3.106 1.00 51.52 N ATOM 1162 CA LEU A 73 -12.090 0.461 2.404 1.00 3.23 C ATOM 1163 C LEU A 73 -11.207 0.827 1.198 1.00 31.13 C ATOM 1164 O LEU A 73 -10.034 1.167 1.363 1.00 34.15 O ATOM 1165 CB LEU A 73 -12.178 1.652 3.371 1.00 30.43 C ATOM 1166 CG LEU A 73 -12.988 1.401 4.655 1.00 22.12 C ATOM 1167 CD1 LEU A 73 -13.071 2.667 5.505 1.00 72.00 C ATOM 1168 CD2 LEU A 73 -14.382 0.875 4.321 1.00 60.12 C ATOM 0 H LEU A 73 -11.019 -0.489 3.940 1.00 51.52 H new ATOM 0 HA LEU A 73 -13.087 0.220 2.035 1.00 3.23 H new ATOM 0 HB2 LEU A 73 -11.167 1.946 3.651 1.00 30.43 H new ATOM 0 HB3 LEU A 73 -12.620 2.496 2.842 1.00 30.43 H new ATOM 0 HG LEU A 73 -12.470 0.640 5.239 1.00 22.12 H new ATOM 0 HD11 LEU A 73 -13.649 2.463 6.407 1.00 72.00 H new ATOM 0 HD12 LEU A 73 -12.066 2.986 5.782 1.00 72.00 H new ATOM 0 HD13 LEU A 73 -13.558 3.458 4.934 1.00 72.00 H new ATOM 0 HD21 LEU A 73 -14.937 0.704 5.243 1.00 60.12 H new ATOM 0 HD22 LEU A 73 -14.910 1.607 3.710 1.00 60.12 H new ATOM 0 HD23 LEU A 73 -14.295 -0.062 3.771 1.00 60.12 H new ATOM 1180 N PRO A 74 -11.763 0.775 -0.032 1.00 30.20 N ATOM 1181 CA PRO A 74 -11.011 1.074 -1.268 1.00 75.13 C ATOM 1182 C PRO A 74 -10.342 2.464 -1.258 1.00 41.22 C ATOM 1183 O PRO A 74 -9.379 2.700 -1.985 1.00 21.42 O ATOM 1184 CB PRO A 74 -12.077 0.985 -2.381 1.00 71.11 C ATOM 1185 CG PRO A 74 -13.394 1.034 -1.674 1.00 30.01 C ATOM 1186 CD PRO A 74 -13.162 0.413 -0.324 1.00 34.35 C ATOM 0 HA PRO A 74 -10.181 0.380 -1.400 1.00 75.13 H new ATOM 0 HB2 PRO A 74 -11.979 1.810 -3.086 1.00 71.11 H new ATOM 0 HB3 PRO A 74 -11.972 0.063 -2.953 1.00 71.11 H new ATOM 0 HG2 PRO A 74 -13.746 2.061 -1.576 1.00 30.01 H new ATOM 0 HG3 PRO A 74 -14.156 0.487 -2.230 1.00 30.01 H new ATOM 0 HD2 PRO A 74 -13.847 0.809 0.426 1.00 34.35 H new ATOM 0 HD3 PRO A 74 -13.304 -0.668 -0.346 1.00 34.35 H new ATOM 1194 N GLU A 75 -10.846 3.376 -0.429 1.00 74.45 N ATOM 1195 CA GLU A 75 -10.258 4.719 -0.305 1.00 24.42 C ATOM 1196 C GLU A 75 -8.825 4.666 0.263 1.00 14.50 C ATOM 1197 O GLU A 75 -7.986 5.506 -0.072 1.00 35.25 O ATOM 1198 CB GLU A 75 -11.157 5.609 0.568 1.00 50.51 C ATOM 1199 CG GLU A 75 -11.355 5.086 1.990 1.00 24.32 C ATOM 1200 CD GLU A 75 -12.494 5.786 2.722 1.00 74.11 C ATOM 1201 OE1 GLU A 75 -12.285 6.903 3.238 1.00 0.45 O ATOM 1202 OE2 GLU A 75 -13.610 5.226 2.769 1.00 25.41 O ATOM 0 H GLU A 75 -11.658 3.216 0.168 1.00 74.45 H new ATOM 0 HA GLU A 75 -10.193 5.151 -1.304 1.00 24.42 H new ATOM 0 HB2 GLU A 75 -10.725 6.608 0.616 1.00 50.51 H new ATOM 0 HB3 GLU A 75 -12.131 5.706 0.088 1.00 50.51 H new ATOM 0 HG2 GLU A 75 -11.556 4.015 1.954 1.00 24.32 H new ATOM 0 HG3 GLU A 75 -10.431 5.218 2.553 1.00 24.32 H new ATOM 1209 N GLU A 76 -8.552 3.669 1.109 1.00 44.00 N ATOM 1210 CA GLU A 76 -7.210 3.467 1.679 1.00 3.44 C ATOM 1211 C GLU A 76 -6.374 2.494 0.823 1.00 42.25 C ATOM 1212 O GLU A 76 -5.244 2.154 1.182 1.00 41.32 O ATOM 1213 CB GLU A 76 -7.314 2.915 3.111 1.00 14.32 C ATOM 1214 CG GLU A 76 -7.977 3.856 4.116 1.00 1.33 C ATOM 1215 CD GLU A 76 -7.190 5.138 4.349 1.00 62.11 C ATOM 1216 OE1 GLU A 76 -5.967 5.061 4.602 1.00 14.54 O ATOM 1217 OE2 GLU A 76 -7.789 6.231 4.295 1.00 21.21 O ATOM 0 H GLU A 76 -9.243 2.985 1.417 1.00 44.00 H new ATOM 0 HA GLU A 76 -6.713 4.437 1.692 1.00 3.44 H new ATOM 0 HB2 GLU A 76 -7.875 1.981 3.085 1.00 14.32 H new ATOM 0 HB3 GLU A 76 -6.312 2.675 3.466 1.00 14.32 H new ATOM 0 HG2 GLU A 76 -8.976 4.110 3.761 1.00 1.33 H new ATOM 0 HG3 GLU A 76 -8.099 3.335 5.066 1.00 1.33 H new ATOM 1224 N ALA A 77 -6.934 2.052 -0.305 1.00 21.31 N ATOM 1225 CA ALA A 77 -6.270 1.074 -1.179 1.00 42.33 C ATOM 1226 C ALA A 77 -5.168 1.715 -2.037 1.00 43.21 C ATOM 1227 O ALA A 77 -5.303 2.847 -2.513 1.00 30.40 O ATOM 1228 CB ALA A 77 -7.294 0.380 -2.071 1.00 53.34 C ATOM 0 H ALA A 77 -7.849 2.355 -0.638 1.00 21.31 H new ATOM 0 HA ALA A 77 -5.793 0.336 -0.534 1.00 42.33 H new ATOM 0 HB1 ALA A 77 -6.788 -0.341 -2.713 1.00 53.34 H new ATOM 0 HB2 ALA A 77 -8.026 -0.137 -1.451 1.00 53.34 H new ATOM 0 HB3 ALA A 77 -7.801 1.122 -2.688 1.00 53.34 H new ATOM 1234 N ILE A 78 -4.087 0.968 -2.241 1.00 53.24 N ATOM 1235 CA ILE A 78 -2.933 1.436 -3.017 1.00 31.32 C ATOM 1236 C ILE A 78 -2.690 0.549 -4.252 1.00 52.54 C ATOM 1237 O ILE A 78 -2.673 -0.679 -4.156 1.00 22.21 O ATOM 1238 CB ILE A 78 -1.648 1.442 -2.147 1.00 24.35 C ATOM 1239 CG1 ILE A 78 -1.829 2.342 -0.909 1.00 13.24 C ATOM 1240 CG2 ILE A 78 -0.437 1.887 -2.966 1.00 5.40 C ATOM 1241 CD1 ILE A 78 -2.149 3.786 -1.236 1.00 73.34 C ATOM 0 H ILE A 78 -3.982 0.022 -1.875 1.00 53.24 H new ATOM 0 HA ILE A 78 -3.160 2.451 -3.344 1.00 31.32 H new ATOM 0 HB ILE A 78 -1.469 0.423 -1.804 1.00 24.35 H new ATOM 0 HG12 ILE A 78 -2.629 1.935 -0.291 1.00 13.24 H new ATOM 0 HG13 ILE A 78 -0.917 2.309 -0.313 1.00 13.24 H new ATOM 0 HG21 ILE A 78 0.451 1.883 -2.334 1.00 5.40 H new ATOM 0 HG22 ILE A 78 -0.291 1.202 -3.801 1.00 5.40 H new ATOM 0 HG23 ILE A 78 -0.606 2.894 -3.348 1.00 5.40 H new ATOM 0 HD11 ILE A 78 -2.261 4.352 -0.311 1.00 73.34 H new ATOM 0 HD12 ILE A 78 -1.339 4.213 -1.827 1.00 73.34 H new ATOM 0 HD13 ILE A 78 -3.078 3.833 -1.805 1.00 73.34 H new ATOM 1253 N ALA A 79 -2.496 1.175 -5.410 1.00 12.21 N ATOM 1254 CA ALA A 79 -2.184 0.441 -6.643 1.00 0.05 C ATOM 1255 C ALA A 79 -0.665 0.265 -6.816 1.00 32.33 C ATOM 1256 O ALA A 79 0.091 1.237 -6.763 1.00 73.14 O ATOM 1257 CB ALA A 79 -2.780 1.160 -7.850 1.00 73.40 C ATOM 0 H ALA A 79 -2.548 2.187 -5.525 1.00 12.21 H new ATOM 0 HA ALA A 79 -2.629 -0.551 -6.569 1.00 0.05 H new ATOM 0 HB1 ALA A 79 -2.542 0.606 -8.758 1.00 73.40 H new ATOM 0 HB2 ALA A 79 -3.862 1.224 -7.738 1.00 73.40 H new ATOM 0 HB3 ALA A 79 -2.362 2.165 -7.918 1.00 73.40 H new ATOM 1263 N THR A 80 -0.221 -0.973 -7.037 1.00 33.30 N ATOM 1264 CA THR A 80 1.221 -1.277 -7.145 1.00 1.21 C ATOM 1265 C THR A 80 1.896 -0.542 -8.313 1.00 44.25 C ATOM 1266 O THR A 80 3.110 -0.337 -8.307 1.00 54.03 O ATOM 1267 CB THR A 80 1.484 -2.792 -7.300 1.00 53.05 C ATOM 1268 OG1 THR A 80 0.821 -3.292 -8.471 1.00 33.15 O ATOM 1269 CG2 THR A 80 1.008 -3.558 -6.068 1.00 53.32 C ATOM 0 H THR A 80 -0.830 -1.784 -7.145 1.00 33.30 H new ATOM 0 HA THR A 80 1.656 -0.925 -6.210 1.00 1.21 H new ATOM 0 HB THR A 80 2.559 -2.940 -7.404 1.00 53.05 H new ATOM 0 HG1 THR A 80 -0.122 -3.464 -8.265 1.00 33.15 H new ATOM 0 HG21 THR A 80 1.205 -4.622 -6.202 1.00 53.32 H new ATOM 0 HG22 THR A 80 1.541 -3.199 -5.188 1.00 53.32 H new ATOM 0 HG23 THR A 80 -0.062 -3.401 -5.933 1.00 53.32 H new ATOM 1277 N ILE A 81 1.111 -0.144 -9.313 1.00 73.41 N ATOM 1278 CA ILE A 81 1.632 0.628 -10.451 1.00 61.40 C ATOM 1279 C ILE A 81 2.148 2.017 -10.009 1.00 20.12 C ATOM 1280 O ILE A 81 3.008 2.612 -10.660 1.00 64.52 O ATOM 1281 CB ILE A 81 0.559 0.770 -11.566 1.00 51.23 C ATOM 1282 CG1 ILE A 81 1.098 1.606 -12.739 1.00 41.23 C ATOM 1283 CG2 ILE A 81 -0.730 1.367 -11.007 1.00 2.24 C ATOM 1284 CD1 ILE A 81 0.157 1.666 -13.923 1.00 43.13 C ATOM 0 H ILE A 81 0.111 -0.341 -9.363 1.00 73.41 H new ATOM 0 HA ILE A 81 2.478 0.075 -10.858 1.00 61.40 H new ATOM 0 HB ILE A 81 0.327 -0.225 -11.945 1.00 51.23 H new ATOM 0 HG12 ILE A 81 1.296 2.620 -12.391 1.00 41.23 H new ATOM 0 HG13 ILE A 81 2.051 1.189 -13.064 1.00 41.23 H new ATOM 0 HG21 ILE A 81 -1.466 1.457 -11.806 1.00 2.24 H new ATOM 0 HG22 ILE A 81 -1.122 0.718 -10.224 1.00 2.24 H new ATOM 0 HG23 ILE A 81 -0.524 2.353 -10.591 1.00 2.24 H new ATOM 0 HD11 ILE A 81 0.603 2.272 -14.712 1.00 43.13 H new ATOM 0 HD12 ILE A 81 -0.022 0.658 -14.297 1.00 43.13 H new ATOM 0 HD13 ILE A 81 -0.789 2.111 -13.614 1.00 43.13 H new ATOM 1296 N GLN A 82 1.632 2.522 -8.885 1.00 3.13 N ATOM 1297 CA GLN A 82 2.129 3.773 -8.286 1.00 3.41 C ATOM 1298 C GLN A 82 3.330 3.518 -7.353 1.00 24.00 C ATOM 1299 O GLN A 82 3.928 4.451 -6.822 1.00 21.04 O ATOM 1300 CB GLN A 82 1.007 4.481 -7.501 1.00 32.32 C ATOM 1301 CG GLN A 82 0.060 5.328 -8.351 1.00 21.43 C ATOM 1302 CD GLN A 82 -0.641 4.544 -9.449 1.00 71.10 C ATOM 1303 OE1 GLN A 82 -1.703 3.973 -9.242 1.00 54.32 O ATOM 1304 NE2 GLN A 82 -0.060 4.526 -10.632 1.00 21.22 N ATOM 0 H GLN A 82 0.869 2.086 -8.367 1.00 3.13 H new ATOM 0 HA GLN A 82 2.460 4.414 -9.103 1.00 3.41 H new ATOM 0 HB2 GLN A 82 0.422 3.728 -6.973 1.00 32.32 H new ATOM 0 HB3 GLN A 82 1.461 5.120 -6.744 1.00 32.32 H new ATOM 0 HG2 GLN A 82 -0.691 5.779 -7.703 1.00 21.43 H new ATOM 0 HG3 GLN A 82 0.623 6.145 -8.803 1.00 21.43 H new ATOM 0 HE21 GLN A 82 0.826 5.012 -10.773 1.00 21.22 H new ATOM 0 HE22 GLN A 82 -0.496 4.026 -11.407 1.00 21.22 H new ATOM 1313 N ILE A 83 3.675 2.247 -7.148 1.00 13.43 N ATOM 1314 CA ILE A 83 4.785 1.877 -6.260 1.00 3.21 C ATOM 1315 C ILE A 83 6.056 1.538 -7.061 1.00 70.24 C ATOM 1316 O ILE A 83 6.196 0.433 -7.588 1.00 51.11 O ATOM 1317 CB ILE A 83 4.414 0.667 -5.360 1.00 24.42 C ATOM 1318 CG1 ILE A 83 3.084 0.919 -4.627 1.00 54.32 C ATOM 1319 CG2 ILE A 83 5.532 0.381 -4.355 1.00 3.25 C ATOM 1320 CD1 ILE A 83 3.102 2.133 -3.722 1.00 44.43 C ATOM 0 H ILE A 83 3.204 1.454 -7.583 1.00 13.43 H new ATOM 0 HA ILE A 83 4.981 2.743 -5.628 1.00 3.21 H new ATOM 0 HB ILE A 83 4.292 -0.207 -6.000 1.00 24.42 H new ATOM 0 HG12 ILE A 83 2.291 1.040 -5.365 1.00 54.32 H new ATOM 0 HG13 ILE A 83 2.835 0.039 -4.033 1.00 54.32 H new ATOM 0 HG21 ILE A 83 5.254 -0.470 -3.733 1.00 3.25 H new ATOM 0 HG22 ILE A 83 6.453 0.153 -4.891 1.00 3.25 H new ATOM 0 HG23 ILE A 83 5.686 1.256 -3.724 1.00 3.25 H new ATOM 0 HD11 ILE A 83 2.130 2.243 -3.242 1.00 44.43 H new ATOM 0 HD12 ILE A 83 3.871 2.007 -2.960 1.00 44.43 H new ATOM 0 HD13 ILE A 83 3.318 3.024 -4.312 1.00 44.43 H new ATOM 1332 N ALA A 84 6.978 2.494 -7.150 1.00 41.14 N ATOM 1333 CA ALA A 84 8.247 2.296 -7.867 1.00 44.02 C ATOM 1334 C ALA A 84 9.183 1.316 -7.139 1.00 55.05 C ATOM 1335 O ALA A 84 10.111 0.767 -7.737 1.00 51.11 O ATOM 1336 CB ALA A 84 8.943 3.638 -8.065 1.00 23.14 C ATOM 0 H ALA A 84 6.874 3.420 -6.734 1.00 41.14 H new ATOM 0 HA ALA A 84 8.011 1.856 -8.836 1.00 44.02 H new ATOM 0 HB1 ALA A 84 9.882 3.486 -8.596 1.00 23.14 H new ATOM 0 HB2 ALA A 84 8.300 4.299 -8.646 1.00 23.14 H new ATOM 0 HB3 ALA A 84 9.145 4.090 -7.094 1.00 23.14 H new ATOM 1342 N ASN A 85 8.939 1.098 -5.848 1.00 2.45 N ATOM 1343 CA ASN A 85 9.802 0.229 -5.034 1.00 4.23 C ATOM 1344 C ASN A 85 9.255 -1.207 -4.931 1.00 11.13 C ATOM 1345 O ASN A 85 9.874 -2.064 -4.305 1.00 73.32 O ATOM 1346 CB ASN A 85 9.963 0.818 -3.628 1.00 2.44 C ATOM 1347 CG ASN A 85 10.414 2.264 -3.645 1.00 64.12 C ATOM 1348 OD1 ASN A 85 11.109 2.707 -4.554 1.00 52.32 O ATOM 1349 ND2 ASN A 85 10.018 3.016 -2.640 1.00 22.33 N ATOM 0 H ASN A 85 8.155 1.507 -5.340 1.00 2.45 H new ATOM 0 HA ASN A 85 10.770 0.180 -5.532 1.00 4.23 H new ATOM 0 HB2 ASN A 85 9.014 0.745 -3.097 1.00 2.44 H new ATOM 0 HB3 ASN A 85 10.687 0.223 -3.071 1.00 2.44 H new ATOM 0 HD21 ASN A 85 10.288 3.999 -2.601 1.00 22.33 H new ATOM 0 HD22 ASN A 85 9.441 2.616 -1.900 1.00 22.33 H new ATOM 1356 N PHE A 86 8.097 -1.463 -5.542 1.00 30.22 N ATOM 1357 CA PHE A 86 7.451 -2.774 -5.455 1.00 43.21 C ATOM 1358 C PHE A 86 8.328 -3.901 -6.040 1.00 61.01 C ATOM 1359 O PHE A 86 8.862 -3.773 -7.146 1.00 14.40 O ATOM 1360 CB PHE A 86 6.101 -2.739 -6.182 1.00 12.11 C ATOM 1361 CG PHE A 86 5.183 -3.857 -5.776 1.00 63.45 C ATOM 1362 CD1 PHE A 86 4.618 -3.851 -4.512 1.00 61.21 C ATOM 1363 CD2 PHE A 86 4.890 -4.910 -6.632 1.00 31.53 C ATOM 1364 CE1 PHE A 86 3.779 -4.872 -4.105 1.00 13.11 C ATOM 1365 CE2 PHE A 86 4.051 -5.933 -6.234 1.00 44.52 C ATOM 1366 CZ PHE A 86 3.494 -5.913 -4.968 1.00 33.20 C ATOM 0 H PHE A 86 7.587 -0.780 -6.102 1.00 30.22 H new ATOM 0 HA PHE A 86 7.301 -2.992 -4.398 1.00 43.21 H new ATOM 0 HB2 PHE A 86 5.612 -1.785 -5.982 1.00 12.11 H new ATOM 0 HB3 PHE A 86 6.273 -2.790 -7.257 1.00 12.11 H new ATOM 0 HD1 PHE A 86 4.835 -3.038 -3.835 1.00 61.21 H new ATOM 0 HD2 PHE A 86 5.323 -4.930 -7.621 1.00 31.53 H new ATOM 0 HE1 PHE A 86 3.347 -4.856 -3.115 1.00 13.11 H new ATOM 0 HE2 PHE A 86 3.831 -6.746 -6.910 1.00 44.52 H new ATOM 0 HZ PHE A 86 2.837 -6.710 -4.654 1.00 33.20 H new